SCHEMBL8583085

SCHEMBL8583085

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 2/20 0.36
KMT2A Q03164 1/20 0.36
VCAM1 P19320 1/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CDK1 P06493 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 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
SCHEMBL8578766 0.95 PPARG (0.38) PPARGPPARAALDH1A1KDM4EMAPT
SCHEMBL8585349 0.94 PPARG (0.37) PPARGPPARAALDH1A1KDM4EMAPT
SCHEMBL8578814 0.91 KDM4E (0.40) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL8580858 0.90 CNR2 (0.37) PPARGPPARAALDH1A1KDM4EMAPT
SCHEMBL8585502 0.89 CNR2 (0.41) PPARGPPARAALDH1A1KDM4EMAPT
SCHEMBL8580391 0.88 CNR2 (0.40) PPARGPPARAALDH1A1HSD17B10KMT2A
SCHEMBL8580843 0.87 PPARG (0.39) PPARGPPARAALDH1A1KDM4EMAPT
SCHEMBL8582780 0.87 CA2 (0.48) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL8580364 0.86 CNR2 (0.37) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL8583870 0.85 SLC9A1 (0.41) PPARGPPARAALDH1A1KDM4EMAPT

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