SCHEMBL7736384

SCHEMBL7736384

CC(C)(C)c1cc2c(c(C(C)(C)C)c1)OP([O-])Oc1c(cc(C(C)(C)C)cc1C(C)(C)C)C2.[Na+]

nearest known ligand 0.33

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 4)

geneUniProtsupporting neighboursconfidence
GABBR2 known ✓ O75899 1/20 0.33
GABBR1 known ✓ Q9UBS5 1/20 0.33
ELANE P08246 1/20 0.33
CD69 Q07108 1/20 0.33

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
SCHEMBL24882702 0.83 ELANE (0.34) GABBR2GABBR1ELANECD69
SCHEMBL30712658 0.82 GABBR2 (0.36) GABBR2GABBR1ELANECD69
SCHEMBL4099581 0.82 ELANE (0.33) GABBR2GABBR1ELANECD69
SCHEMBL29560929 0.82 ELANE (0.36) GABBR2GABBR1ELANECD69
SCHEMBL9278611 0.82 ELANE (0.36) GABBR2GABBR1ELANECD69
SCHEMBL4440720 0.82 GABBR2 (0.36) GABBR2GABBR1ELANECD69
SCHEMBL9004174 0.81 ELANE (0.36) GABBR2GABBR1ELANECD69
SCHEMBL5051101 0.79 ELANE (0.35) GABBR2GABBR1ELANECD69
SCHEMBL10583884 0.78 ELANE (0.34) GABBR2GABBR1ELANECD69
SCHEMBL19648626 0.76 ELANE (0.36) GABBR2GABBR1ELANECD69

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020198326-A1 Polyolefin resin composition AOYAMA TAIZO (JP) 2002-12-26 US disclosed
EP-0679684-B1 POLYOLEFIN RESIN COMPOSITION KANEGAFUCHI CHEMICAL IND (JP) 1999-07-14 EP disclosed
EP-0679684-A1 POLYOLEFIN RESIN COMPOSITION KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1995-11-02 EP disclosed