SCHEMBL7592900

SCHEMBL7592900

CCCCCc1c(C(=O)O)c(F)c(F)c(F)c1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.37
BID P55957 3/20 0.36
MCL1 Q07820 3/20 0.36
PLK1 P53350 3/20 0.36
BCL2L1 Q07817 2/20 0.36
BAK1 Q16611 2/20 0.36
KAT8 Q9H7Z6 2/20 0.36
PPARA Q07869 2/20 0.36
PLK3 Q9H4B4 2/20 0.36
PPARG P37231 1/20 0.36
EP300 Q09472 1/20 0.36
KAT2A Q92830 1/20 0.36
KAT2B Q92831 1/20 0.36
KAT5 Q92993 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
GPR35 Q9HC97 5/20 0.36
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HCAR3 P49019 1/20 0.34
FAAH O00519 1/20 0.34

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
SCHEMBL7593486 0.95 HCAR2 (0.41) HCAR2PLK1PLK3GPR35TSHR
SCHEMBL7596490 0.89 SMN1; SMN2 (0.37) HCAR2TSHRSMN1; SMN2
SCHEMBL7863490 0.84 HCAR2 (0.42) HCAR2BIDMCL1PLK1BCL2L1
SCHEMBL7654179 0.82 BID (0.44) HCAR2BIDMCL1PLK1BCL2L1
SCHEMBL7653867 0.82 BID (0.44) HCAR2BIDMCL1PLK1BCL2L1
SCHEMBL7855513 0.79 HCAR2 (0.47) HCAR2BIDMCL1BCL2L1BAK1
SCHEMBL29927198 0.79 HCAR2 (0.47) HCAR2BIDMCL1BCL2L1BAK1
SCHEMBL2013238 0.77 BID (0.45) HCAR2BIDMCL1PLK1BCL2L1
SCHEMBL5076184 0.72 SMN1; SMN2 (0.42) GPR35TSHRSMN1; SMN2
SCHEMBL5394517 0.72 LDHA (0.35) HCAR2SMN1; SMN2

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-0968994-B1 PROCESS FOR PRODUCING SUBSTITUTED TRIFLUOROBENZOIC ACIDS AND ESTERS THEREOF UBE INDUSTRIES (JP) 2002-11-06 EP claimed