SCHEMBL1845827

SCHEMBL1845827

CCCCCC(C)(C)c1ccc(OP(=O)([O-])Oc2ccc(C(C)(C)CCCCC)cc2)cc1.[Na+]

nearest known ligand 0.44

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.44
CNR1 P21554 4/20 0.38
GPR84 Q9NQS5 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5679042 0.84 BLM (0.47) CNR2CNR1
SCHEMBL5191771 0.84 CNR2 (0.46) CNR2CNR1
SCHEMBL4979974 0.84 CNR2 (0.46) CNR2CNR1
SCHEMBL1426905 0.81 CNR2 (0.43) CNR2CNR1
SCHEMBL11318235 0.81 TDP1 (0.53) CNR2CNR1
SCHEMBL5682951 0.80 CNR2 (0.43) CNR2CNR1
SCHEMBL5682825 0.79 CNR2 (0.48) CNR2CNR1
SCHEMBL5679615 0.79 ALDH1A1 (0.45) CNR2CNR1
SCHEMBL6365435 0.78 CYP3A4 (0.49) CNR1GPR84
SCHEMBL4440332 0.78 CYP3A4 (0.49) CNR1GPR84

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 137 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337566-B1 FILMS, COMPOSITIONS AND PROCESSES UCB SA (BE) 2005-12-14 EP claimed
US-6969556-B2 Films, compositions and processes UCB, S.A. (BE) 2005-11-29 US claimed
EP-2267044-B1 Olefin polymer of very low polydispersity and process for preparing the same MITSUI CHEMICALS INC (JP) 2015-07-08 EP disclosed
EP-2267042-B1 Olefin diblock copolymer of very low polydispersity and process for preparing the same MITSUI CHEMICALS INC (JP) 2015-06-10 EP disclosed
US-8436089-B2 Polypropylene composition, a method of producing the same, and articles made therefrom DOW GLOBAL TECHNOLOGIES LLC (US) 2013-05-07 US disclosed
US-8338557-B2 Olefin polymer and process for preparing the same MITSUI CHEMICALS, INC. (JP) 2012-12-25 US disclosed
EP-2142596-B1 A POLYPROPYLENE COMPOSITION, A METHOD OF PRODUCING THE SAME, AND ARTICLES MADE THEREFROM DOW GLOBAL TECHNOLOGIES LLC (US) 2011-10-26 EP disclosed
EP-1162211-B2 ETHYLENE (CO)POLYMERS AND USES THEREOF MITSUI CHEMICALS INC (JP) 2011-08-24 EP disclosed
US-20110196103-A1 PROPYLENE COPOLYMER, POLYPROPYLENE COMPOSITION AND USES THEREOF, TRANSITION METAL COMPOUND AND OLEFIN POLYMERIZATION CATALYST MITSUI CHEMICALS, INC. (US) 2011-08-11 US disclosed
EP-1917304-B1 PROPYLENE BASED RESIN COMPOSITION MITSUI CHEMICALS INC (JP) 2011-06-22 EP disclosed
EP-1197500-B1 OLEFIN TRIBLOCK COPOLYMERS AND PRODUCTION PROCESSES THEREOF MITSUI CHEMICALS INC (JP) 2011-05-18 EP disclosed
EP-0870801-A1 ALPHA-OLEFIN/AROMATIC VINYL COPOLYMER COMPOSITION AND MOLDINGS THEREOF Mitsui Chemicals, Inc. (JP) 1998-10-14 EP disclosed
EP-0869146-A1 ETHYLENE COPOLYMER COMPOSITION AND MOLDINGS Mitsui Chemicals, Inc. (JP) 1998-10-07 EP disclosed
EP-0636650-B1 Propylene polymer compositions MITSUI PETROCHEMICAL IND (JP) 1997-01-22 EP disclosed
US-5595827-A BLEND WITH POLYTERPENE AND/OR PETROLEUM RESIN, MULTILAYER FILM FOR PACKAGING, WATER VAPOR BARRIER MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-01-21 US disclosed
EP-0634455-B1 Polypropylene resin composition and the use of the same MITSUI PETROCHEMICAL IND (JP) 1997-01-08 EP disclosed
EP-0716121-A1 Composition of polypropylene with propylene-butene elastomer MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1996-06-12 EP disclosed
US-5412020-A Impact strength MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1995-05-02 US disclosed
EP-0636650-A1 Propylene polymer compositions MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1995-02-01 EP disclosed
EP-0634455-A1 Polypropylene resin composition and the use of the same MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1995-01-18 EP disclosed