SCHEMBL3401876

SCHEMBL3401876

CCC(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.48
KCNH2 Q12809 3/20 0.48
OPRD1 P41143 3/20 0.48
MRGPRX2 Q96LB1 2/20 0.48
OPRK1 P41145 2/20 0.48
CHRM3 P20309 1/20 0.48
HRH2 P25021 1/20 0.48
HTR2A P28223 1/20 0.48
ADRA1A P35348 1/20 0.48
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
DRD3 P35462 3/20 0.46
DRD2 P14416 1/20 0.46
ELANE P08246 1/20 0.43
KCNN4 O15554 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CES1 P23141 2/20 0.39
CES2 O00748 1/20 0.39

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
SCHEMBL23649580 0.86 OPRM1 (0.40) OPRM1KCNH2OPRD1MRGPRX2OPRK1
SCHEMBL19928251 0.84 CYP2C19 (0.52) OPRM1KCNH2OPRD1MRGPRX2OPRK1
SCHEMBL11150049 0.84 OPRM1 (0.48) OPRM1KCNH2OPRD1MRGPRX2OPRK1
SCHEMBL42692 0.82 CYP2C19 (0.50) OPRM1KCNH2OPRD1MRGPRX2OPRK1
SCHEMBL1177684 0.82 HIF1A (0.44) KCNH2CYP2C19HIF1AKCNN4CYP1A2
SCHEMBL27726754 0.82 HIF1A (0.44) KCNH2CHRM3CYP2C19HIF1AKCNN4
SCHEMBL15299063 0.81 OPRM1 (0.46) OPRM1KCNH2OPRD1MRGPRX2OPRK1
SCHEMBL28028389 0.81 CYP2C19 (0.48) OPRM1KCNH2OPRD1MRGPRX2OPRK1
SCHEMBL1233526 0.80 HIF1A (0.42) KCNH2CYP2C19HIF1AKCNN4CYP1A2
SCHEMBL3950448 0.80 KIF11 (0.47) KCNH2CYP2C19HIF1AKCNN4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572752-B1 POLYMERIZATION PROCESSES EXXONMOBIL CHEM PATENTS INC (US) 2014-08-13 EP claimed
EP-1761574-B1 POLYMERIZATION PROCESS USING HYDROFLUOROCARBONS EXXONMOBIL CHEM PATENTS INC (US) 2012-06-13 EP claimed
EP-1572753-B1 POLYMERIZATION PROCESSES EXXONMOBIL CHEM PATENTS INC (US) 2012-06-13 EP claimed
EP-1572751-B1 POLYMERIZATION PROCESSES EXXONMOBIL CHEM PATENTS INC (US) 2010-06-23 EP claimed
WO-2007124459-A2 INDEX-CONTRASTING-PHOTOACTIVE POLYMERIZABLE MATERIALS, AND ARTICLES AND METHODS USING SAME INPHASE TECHNOLOGIES, INC. (US) 2007-11-01 WO disclosed
US-20070248890-A1 Index Contrasting-Photoactive Polymerizable Materials, and Articles and Methods Using Same INPHASE TECHNOLOGIES, INC. (US) 2007-10-25 US disclosed