SCHEMBL8581983

SCHEMBL8581983

CCCCCCc1cc(OC)c(C(=O)OC)cc1S(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.45
PPARG P37231 1/20 0.45
HTR2A P28223 1/20 0.44
ALOX5 P09917 6/20 0.43
PTGS2 P35354 3/20 0.43
CNR2 P34972 1/20 0.42
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL8580706 0.99 PPARA (0.43) PPARAPPARGHTR2AALOX5PTGS2
SCHEMBL8581516 0.95 HTT (0.40) PPARAPPARGHTR2AALOX5CNR2
SCHEMBL8581020 0.87 CNR2 (0.41) PPARAPPARGALOX5PTGS2CNR2
SCHEMBL8583900 0.86 CNR2 (0.40) ALOX5CNR2MEN1ALDH1A1KMT2A
SCHEMBL8580391 0.86 CNR2 (0.40) PPARAPPARGALOX5PTGS2CNR2
SCHEMBL8581804 0.86 CNR2 (0.41) ALOX5PTGS2CNR2MEN1ALDH1A1
SCHEMBL8581653 0.85 HTT (0.45) MEN1KMT2AHTT
SCHEMBL8580534 0.85 ALDH1A1 (0.41) CNR2ALDH1A1
SCHEMBL8580983 0.85 CNR2 (0.42) ALOX5CNR2MEN1ALDH1A1KMT2A
SCHEMBL8581001 0.85 CA12 (0.41) ALOX5CNR2MEN1ALDH1A1KMT2A

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