SCHEMBL8082709

SCHEMBL8082709

CCCC(Oc1ccccc1Br)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.56
PPARA Q07869 11/20 0.56
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
Hydrochloric Acid SCHEMBL8074440 0.98 PPARG (0.55) PPARGPPARAPTGESALOX5LMNA
SCHEMBL8081953 0.88 PPARA (0.42) PPARGPPARALMNATSHRKMT2A
SCHEMBL8935797 0.87 PPARA (0.49) PPARGPPARALMNATSHRKMT2A
SCHEMBL1245341 0.87 PPARA (0.49) PPARGPPARALMNATSHRKMT2A
SCHEMBL8074435 0.86 PPARA (0.41) PPARGPPARALMNATSHRKMT2A
SCHEMBL8086173 0.86 PPARA (0.41) PPARGPPARALMNATSHRKMT2A
Hydrochloric Acid SCHEMBL8074407 0.86 PPARA (0.48) PPARGPPARALMNATSHRKMT2A
SCHEMBL8074376 0.85 POLB (0.43) PPARGPPARALMNATSHRKMT2A
SCHEMBL5533566 0.82 PKM (0.51) PPARGPPARALMNARAB9A
SCHEMBL21057214 0.82 PPARA (0.50) PPARGPPARAPTGESALOX5LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6063810-A ENANTIOMORPHS SYNTHELABO (FR) 2000-05-16 US disclosed
EP-0888324-A1 2-AMINOETHYL-BENZOFURAN DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USE THEREOF SYNTHELABO (FR) 1999-01-07 EP disclosed
WO-1997032870-A1 2-AMINOETHYL-BENZOFURAN DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USE THEREOF SYNTHELABO (FR) 1997-09-12 WO disclosed