SCHEMBL3401873

SCHEMBL3401873

CC(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 4/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 1/20 0.35
CES1 P23141 1/20 0.35
MEN1 O00255 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
ALOX15 P16050 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
SCHEMBL11224651 0.83 KCNN4 (0.36) KCNN4CYP2C19HIF1AALDH1A1KDM4E
SCHEMBL1096837 0.83 KCNN4 (0.47) KCNN4CYP2C19HIF1AALDH1A1HPGD
SCHEMBL28772995 0.81 KCNN4 (0.44) KCNN4CYP2C19HIF1AALDH1A1CYP1A2
SCHEMBL27722753 0.81 KCNN4 (0.45) KCNN4CYP2C19HIF1AALDH1A1HPGD
Phosphine SCHEMBL10642479 0.81 KCNN4 (0.45) KCNN4CYP2C19HIF1AALDH1A1HPGD
SCHEMBL28147925 0.81 KMT2A (0.38) KCNN4CYP2C19HIF1AALDH1A1CYP1A2
SCHEMBL13427886 0.79 KIF11 (0.43) KCNN4CYP2C19HIF1AALDH1A1HPGD
SCHEMBL13940364 0.79 RAB9A (0.39) KCNN4CYP2C19HIF1AALDH1A1CYP1A2
SCHEMBL8805710 0.77 MAPK1 (0.38) KCNN4ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL2922554 0.77 MAPK1 (0.38) KCNN4ALDH1A1CHRM2CHRM1CHRM3

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-1572752-B1 POLYMERIZATION PROCESSES EXXONMOBIL CHEM PATENTS INC (US) 2014-08-13 EP claimed
EP-1578806-B1 POLYMERIZATION PROCESSES EXXONMOBIL CHEM PATENTS INC (US) 2013-05-22 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