SCHEMBL9079983

SCHEMBL9079983

O=C(O)c1ccc(CC(Cc2ccccc2)Cc2ccc(Oc3ccccc3)cc2)cc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.51
PPARA Q07869 7/20 0.51
POLB P06746 1/20 0.51
FFAR1 O14842 2/20 0.49
SRD5A2 P31213 4/20 0.48
PPARD Q03181 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
LTA4H P09960 1/20 0.44
NPY5R Q15761 2/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL9081733 0.84 PPARG (0.47) PPARGPPARAFFAR1SRD5A2PPARD
SCHEMBL9080851 0.81 POLB (0.53) PPARGPPARAPOLBFFAR1SRD5A2
SCHEMBL9081185 0.80 PPARG (0.46) PPARGPPARAPOLBFFAR1SRD5A2
SCHEMBL9079799 0.80 POLB (0.51) POLBFFAR1SRD5A2LTA4H
SCHEMBL9081612 0.80 PPARG (0.51) PPARGPPARAPOLBFFAR1SRD5A2
SCHEMBL9081807 0.78 NPY5R (0.48) FFAR1NPY5R
SCHEMBL522949 0.78 POLB (0.77) POLBSRD5A2ALDH1A1
SCHEMBL30287662 0.78 POLB (0.77) POLBSRD5A2ALDH1A1
SCHEMBL28576596 0.76 POLB (0.75) POLBFFAR1SRD5A2ALDH1A1
SCHEMBL27703521 0.76 MTNR1A (0.49) ALDH1A1

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
WO-1996034851-A1 BENZENE, PYRIDINE, NAPHTALENE OR BENZOPHENONE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1996-11-07 WO disclosed