SCHEMBL7541010

SCHEMBL7541010

CC(=O)Oc1ccc(C(=O)OC(CCC(C)C)C(F)(F)F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.39
TMPRSS15 P98073 2/20 0.39
KDM4E B2RXH2 2/20 0.37
MAOB P27338 4/20 0.35
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAOA P21397 1/20 0.34
CPS1 P31327 3/20 0.34
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL7541015 1.00 PRSS1 (0.39) PRSS1TMPRSS15KDM4EMAOBMAPT
SCHEMBL7608743 0.85 PRSS1 (0.41) PRSS1TMPRSS15KDM4EMAOBMAPT
SCHEMBL7608739 0.85 PRSS1 (0.41) PRSS1TMPRSS15KDM4EMAOBMAPT
SCHEMBL7755224 0.84 KMT2A (0.40) PRSS1TMPRSS15KDM4EMAOBMAPT
SCHEMBL8100235 0.84 KMT2A (0.40) PRSS1TMPRSS15KDM4EMAOBMAPT
SCHEMBL7541984 0.83 CA12 (0.43) KDM4EMAPK1ALDH1A1KMT2A
SCHEMBL7541987 0.83 CA12 (0.43) KDM4EMAPK1ALDH1A1KMT2A
SCHEMBL8081640 0.82 KMT2A (0.39) PRSS1TMPRSS15KDM4EMAOBALDH1A1
SCHEMBL8088730 0.81 RARA (0.34) PRSS1TMPRSS15KDM4EMAOBMAPT
SCHEMBL8088727 0.81 RARA (0.34) PRSS1TMPRSS15KDM4EMAOBMAPT

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-0937765-B1 Ferrielectric liquid crystal compound MITSUBISHI GAS CHEMICAL CO (JP) 2002-05-29 EP disclosed
EP-0853076-B1 Liquid crystal compound MITSUBISHI GAS CHEMICAL CO (JP) 2001-09-12 EP disclosed
US-6128065-A 2 OR 3-FLUORO SUBSTITUTED OR UNSUBSTITUTED 4-(1-TRIFLUOROMETHYL-4-METHYL-PENTYL OR HEXYLOXYCARBONYL)PHENYL-4'-N-ALKYLBIPHENYL-4-CARBOXYLATE CONTAINING ASYMMETRIC CARBON ATOM MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2000-10-03 US disclosed
US-6002042-A Liquid crystal compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1999-12-14 US disclosed
EP-0937765-A1 Ferrielectric liquid crystal compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1999-08-25 EP disclosed
EP-0853076-A1 Liquid crystal compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1998-07-15 EP disclosed