SCHEMBL9577362

SCHEMBL9577362

O=C(O)C(=O)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
ESR1 P03372 3/20 0.46
ESR2 Q92731 3/20 0.46
CNR2 P34972 1/20 0.44
EPHX1 P07099 1/20 0.43
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.42
CYP2D6 P10635 2/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
MEN1 O00255 1/20 0.42
SLC6A4 P31645 1/20 0.42
PSMB8 P28062 1/20 0.42
PSMB5 P28074 1/20 0.42
CTBP2 P56545 1/20 0.42
GABBR2 O75899 2/20 0.41
GABBR1 Q9UBS5 2/20 0.41

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
SCHEMBL9577277 0.93 EPHX1 (0.53) PPARGPPARACNR2EPHX1PSMB8
SCHEMBL1289928 0.80 CYP2C9 (0.48) CYP2C9CYP2C19POLBKMT2ACYP2D6
SCHEMBL9577404 0.79 EPHX1 (0.67) EPHX1PTGS1CYP1A2
SCHEMBL9577288 0.79 EPHX1 (0.49) CYP2C19PPARGPPARACNR2EPHX1
SCHEMBL9577597 0.79 EPHX1 (0.49) PPARGPPARACNR2EPHX1POLB
SCHEMBL3370947 0.79 EPHX1 (0.56) CYP2C9CYP2C19PPARGPPARACNR2
SCHEMBL605909 0.79 P4HTM (0.56) CYP2C9CYP2C19PPARGPPARACNR2
SCHEMBL9577449 0.77 FFAR2 (0.49) CYP2C9CYP2C19PPARGPPARAPOLB
SCHEMBL22394830 0.77 EPHX1 (0.54) CYP2C19PPARGPPARACNR2EPHX1
SCHEMBL27630560 0.77 CYP2C9 (0.60) CYP2C9CYP2C19PPARGPPARAESR1

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
EP-0407588-B1 PROCESS FOR PRODUCING 2-OXO-3-AROMATIC CARBOXYLIC ACID DERIVATIVES SAGAMI CHEM RES (JP) 1993-12-08 EP disclosed
US-5028738-A Process for producing 2-oxo-3-aromatic carboxylic acid derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-07-02 US disclosed
EP-0407588-A1 PROCESS FOR PRODUCING 2-OXO-3-AROMATIC CARBOXYLIC ACID DERIVATIVES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-16 EP disclosed