SCHEMBL8526920

SCHEMBL8526920

CC(C)OC(=O)CC(C(=O)OC(C)C)S(=O)(=O)[O-].[Na+]

nearest known ligand 0.34

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 12)

geneUniProtsupporting neighboursconfidence
CA12 known ✓ O43570 1/20 0.33
CA1 known ✓ P00915 1/20 0.33
CA2 known ✓ P00918 1/20 0.33
LMNA P02545 2/20 0.34
CA9 Q16790 1/20 0.33
TSHR P16473 2/20 0.33
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
PRKCA P17252 1/20 0.30

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
SCHEMBL4020730 0.83 RECQL (0.41) LMNACA12CA1CA2CA9
SCHEMBL8526917 0.81 RECQL (0.40) LMNACA12CA1CA2CA9
SCHEMBL4385317 0.81 CYP19A1 (0.36) CA2MMP1MMP2MMP3MMP9
SCHEMBL5155378 0.79 FAAH (0.37) TSHR
SCHEMBL354781 0.77 FAAH (0.44) LMNACA1CA2TSHR
SCHEMBL11515087 0.76 CA12 (0.34) LMNACA12CA1CA2CA9
SCHEMBL1092383 0.75 FAAH (0.52) LMNACA1CA2
SCHEMBL2794860 0.74 CA14 (0.35) CA12CA1CA2CA9TSHR
SCHEMBL472039 0.74 RECQL (0.43) CA2TSHRPRKCA
Potassium Ion SCHEMBL7098657 0.73 RECQL (0.35) LMNAPRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0635548-B1 Thermoplastic resin composition MITSUBISHI CHEM CORP (JP) 1998-03-11 EP claimed
EP-0635548-A1 Thermoplastic resin composition MITSUBISHI CHEMICAL CORPORATION (JP) 1995-01-25 EP claimed
EP-0635548-B1 Thermoplastic resin composition MITSUBISHI CHEM CORP (JP) 1998-03-11 EP disclosed
US-5541243-A Thermoplastic resin composition MITSUBISHI CHEMICAL CORPORATION (JP) 1996-07-30 US disclosed
EP-0635548-A1 Thermoplastic resin composition MITSUBISHI CHEMICAL CORPORATION (JP) 1995-01-25 EP disclosed