SCHEMBL8580983

SCHEMBL8580983

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.42
RARB P10826 2/20 0.39
RARA P10276 1/20 0.39
RARG P13631 1/20 0.39
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
TRPV1 Q8NER1 1/20 0.36
ALOX5 P09917 1/20 0.36
KDM4E B2RXH2 2/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
NOD2 Q9HC29 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
HIF1A Q16665 1/20 0.35
CNR1 P21554 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
SCHEMBL8579892 0.99 CNR2 (0.42) CNR2RARBRARARARGMEN1
SCHEMBL8582507 0.95 CNR2 (0.38) CNR2ALDH1A1TRPV1KDM4EHPGD
SCHEMBL8583066 0.90 PPARG (0.36) CNR2ALDH1A1KDM4EGAAHPGD
SCHEMBL8581020 0.87 CNR2 (0.41) CNR2MEN1ALDH1A1KMT2AALOX5
SCHEMBL8580391 0.86 CNR2 (0.40) CNR2MEN1ALDH1A1KMT2AALOX5
SCHEMBL8583900 0.86 CNR2 (0.40) CNR2RARBMEN1ALDH1A1KMT2A
SCHEMBL8581804 0.86 CNR2 (0.41) CNR2MEN1ALDH1A1KMT2AALOX5
SCHEMBL8583149 0.85 ALDH1A1 (0.38) ALDH1A1KMT2AKDM4EHPGD
SCHEMBL8580534 0.85 ALDH1A1 (0.41) CNR2ALDH1A1
SCHEMBL8581983 0.85 PPARA (0.45) CNR2MEN1ALDH1A1KMT2AALOX5

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