SCHEMBL8580843

SCHEMBL8580843

CCCc1cc(C)c(S(C)(=O)=O)cc1C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
HSD17B10 Q99714 1/20 0.39
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
PDGFRA P16234 1/20 0.36
FLT1 P17948 1/20 0.36
FGFR3 P22607 1/20 0.36
KDR P35968 1/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
SLC9A1 P19634 1/20 0.35

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
SCHEMBL8580028 0.90 PDGFRB (0.39) HSD17B10PDGFRBFGFR1PDGFRAFLT1
SCHEMBL8580665 0.89 PDGFRB (0.42) PPARGPPARAHSD17B10PDGFRBFGFR1
SCHEMBL8578766 0.88 PPARG (0.38) PPARGPPARAHSD17B10FLT1KDR
SCHEMBL8581893 0.87 CA2 (0.47) HSD17B10KDRLMNA
SCHEMBL8583085 0.87 PPARG (0.37) PPARGPPARAHSD17B10FLT1KDR
SCHEMBL8582974 0.84 CDK1 (0.38) HSD17B10PDGFRBFGFR1PDGFRAFLT1
SCHEMBL8585349 0.84 PPARG (0.37) PPARGPPARAHSD17B10ALDH1A1KDM4E
SCHEMBL8580858 0.83 CNR2 (0.37) PPARGPPARAHSD17B10FLT1KDR
SCHEMBL8583870 0.83 SLC9A1 (0.41) PPARGPPARAHSD17B10FLT1KDR
SCHEMBL8585502 0.82 CNR2 (0.41) PPARGPPARAHSD17B10ALDH1A1KDM4E

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