SCHEMBL8585502

SCHEMBL8585502

CCCCCc1cc(CCC)c(C(=O)OC)cc1S(C)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.41
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX5 P09917 3/20 0.35
PTGES O14684 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
CNR1 P21554 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL8580391 0.99 CNR2 (0.40) CNR2ALDH1A1MEN1KMT2AALOX5
SCHEMBL8580858 0.96 CNR2 (0.37) CNR2ALDH1A1PPARGPPARAKDM4E
SCHEMBL8581804 0.93 CNR2 (0.41) CNR2ALDH1A1MEN1KMT2AALOX5
SCHEMBL8578766 0.93 PPARG (0.38) ALDH1A1PPARGPPARAKDM4EMAPT
SCHEMBL8581020 0.92 CNR2 (0.41) CNR2ALDH1A1MEN1KMT2AALOX5
SCHEMBL8583499 0.90 CNR2 (0.39) CNR2ALDH1A1MEN1KMT2AALOX5
SCHEMBL8580364 0.89 CNR2 (0.37) CNR2ALDH1A1THRATHRBKDM4E
SCHEMBL8583085 0.89 PPARG (0.37) ALDH1A1KMT2APPARGPPARAKDM4E
SCHEMBL8585349 0.89 PPARG (0.37) ALDH1A1PPARGPPARAKDM4EMAPT
SCHEMBL8581920 0.87 CNR2 (0.41) CNR2ALDH1A1MEN1KMT2ACNR1

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