SCHEMBL8580858

SCHEMBL8580858

CCCCc1cc(CCC)c(C(=O)OC)cc1S(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.37
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35
GABRQ Q9UN88 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
KDM4E B2RXH2 3/20 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
SCHEMBL8585502 0.96 CNR2 (0.41) CNR2PPARGPPARAKDM4EALDH1A1
SCHEMBL8580391 0.95 CNR2 (0.40) CNR2PPARGPPARAALDH1A1HSD17B10
SCHEMBL8578766 0.94 PPARG (0.38) PPARGPPARAKDM4EALDH1A1HPGD
SCHEMBL8580364 0.93 CNR2 (0.37) CNR2KDM4EALDH1A1HPGDMAPT
SCHEMBL8585349 0.90 PPARG (0.37) PPARGPPARAKDM4EALDH1A1HPGD
SCHEMBL8583085 0.90 PPARG (0.37) PPARGPPARAKDM4EALDH1A1HPGD
SCHEMBL8581804 0.89 CNR2 (0.41) CNR2KDM4EALDH1A1HPGDMAPT
SCHEMBL8581020 0.88 CNR2 (0.41) CNR2PPARGPPARAALDH1A1
SCHEMBL8578836 0.86 PDGFRB (0.40) CNR2KDM4EALDH1A1HPGDMAPT
SCHEMBL8583499 0.86 CNR2 (0.39) CNR2KDM4EALDH1A1HPGDMAPT

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