SCHEMBL8580665

SCHEMBL8580665

CCCc1cc(C)c(C(=O)OC)cc1S(C)(=O)=O

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
HSD17B10 Q99714 2/20 0.39
SLC9A1 P19634 1/20 0.38
VCAM1 P19320 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8578836 0.92 PDGFRB (0.40) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL8581920 0.91 CNR2 (0.41) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL8584243 0.90 PDGFRB (0.45) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL8583900 0.89 CNR2 (0.40) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL8580843 0.89 PPARG (0.39) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL8578766 0.88 PPARG (0.38) FLT1KDRKDM4EALDH1A1MAPT
SCHEMBL8585349 0.87 PPARG (0.37) KDM4EALDH1A1MAPTHPGDPPARG
SCHEMBL8583066 0.84 PPARG (0.36) KDM4EALDH1A1MAPTHPGDPPARG
SCHEMBL8581598 0.84 CA2 (0.39) KDM4EALDH1A1MAPTHPGDPPARG
SCHEMBL8583085 0.84 PPARG (0.37) FLT1KDRKDM4EALDH1A1MAPT

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
US-5840761-A Alkylbenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-11-24 US disclosed