SCHEMBL6882983

SCHEMBL6882983

CC(C(F)(F)F)C(Cc1ccccc1)(C(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
TRPA1 O75762 1/20 0.42
CES1 P23141 1/20 0.42
TSHR P16473 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CHRM1 P11229 3/20 0.38
ACE P12821 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CPA1 P15085 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
CYP3A4 P08684 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SLC6A2 P23975 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL6741847 0.82 ALDH1A1 (0.51) SMN1; SMN2TSHRALDH1A1TAAR1MEN1
SCHEMBL28315549 0.80 SMN1; SMN2 (0.50) SMN1; SMN2HIF1ATRPA1CES1TSHR
SCHEMBL21269521 0.80 SMN1; SMN2 (0.50) SMN1; SMN2HIF1ATRPA1CES1TSHR
SCHEMBL21269478 0.80 SMN1; SMN2 (0.50) SMN1; SMN2HIF1ATRPA1CES1TSHR
SCHEMBL28314443 0.80 SMN1; SMN2 (0.50) SMN1; SMN2HIF1ATRPA1CES1TSHR
SCHEMBL28875971 0.80 SMN1; SMN2 (0.50) SMN1; SMN2HIF1ATRPA1CES1TSHR
SCHEMBL21269477 0.80 SMN1; SMN2 (0.50) SMN1; SMN2HIF1ATRPA1CES1TSHR
SCHEMBL28314702 0.79 SMN1; SMN2 (0.48) SMN1; SMN2HIF1ATRPA1CES1TSHR
SCHEMBL28314546 0.79 SMN1; SMN2 (0.48) SMN1; SMN2HIF1ATRPA1CES1TSHR
SCHEMBL28314666 0.79 SMN1; SMN2 (0.48) SMN1; SMN2HIF1ATRPA1CES1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042372-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE SPA (IT) 2004-07-14 EP claimed