SCHEMBL9168065

SCHEMBL9168065

CCCc1cc(CBr)ccc1OC(C(=O)OC)c1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
ADRB3 P13945 9/20 0.38
ADRB1 P08588 8/20 0.38
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
PKM P14618 1/20 0.37
ADRB2 P07550 2/20 0.37
GLA P06280 1/20 0.36

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
SCHEMBL9165031 0.92 PPARG (0.41) PPARGPPARAADRB3ADRB1EDNRB
SCHEMBL9165348 0.89 PPARG (0.48) PPARGPPARAADRB3ADRB1
SCHEMBL7410289 0.88 PPARG (0.50) PPARGPPARAEDNRBEDNRA
SCHEMBL9307393 0.86 PPARA (0.52) PPARGPPARAADRB3ADRB1
SCHEMBL9168061 0.83 ADRB3 (0.40) ADRB3ADRB1ADRB2GLA
SCHEMBL9159728 0.82 PPARG (0.50) PPARGPPARA
SCHEMBL7414833 0.81 PPARG (0.51) PPARGPPARAEDNRBEDNRA
SCHEMBL9307429 0.79 PPARA (0.53) PPARGPPARA
SCHEMBL9051202 0.78 EDNRB (0.55) PPARGPPARAEDNRBEDNRA
SCHEMBL7408292 0.78 PPARG (0.50) PPARGPPARAEDNRBEDNRA

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-5420133-A Quinazolinones substituted with phenoxyphenylacetic acid derivatives MERCK & CO., INC. (US) 1995-05-30 US disclosed