SCHEMBL9577277

SCHEMBL9577277

O=C(O)C(=O)C(Cc1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.53
PPARG P37231 3/20 0.49
PPARA Q07869 3/20 0.49
CNR2 P34972 2/20 0.49
PSMB8 P28062 1/20 0.47
PSMB5 P28074 1/20 0.47
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CNR1 P21554 1/20 0.43
CHRM1 P11229 3/20 0.43
P4HTM Q9NXG6 1/20 0.43
UBE2N P61088 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
CYP1A2 P05177 1/20 0.43
SLC6A9 P48067 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
SCHEMBL9577362 0.93 CYP2C9 (0.47) EPHX1PPARGPPARACNR2PSMB8
SCHEMBL9577404 0.88 EPHX1 (0.67) EPHX1CHRM1UBE2NCYP1A2
SCHEMBL605909 0.86 P4HTM (0.56) EPHX1PPARGPPARACNR2MAPT
SCHEMBL9577597 0.86 EPHX1 (0.49) EPHX1PPARGPPARACNR2PSMB8
SCHEMBL28108266 0.83 EPHX1 (0.77) EPHX1PPARGPPARACNR2PSMB8
SCHEMBL9577288 0.80 EPHX1 (0.49) EPHX1PPARGPPARACNR2PSMB8
SCHEMBL3370947 0.79 EPHX1 (0.56) EPHX1PPARGPPARACNR2CNR1
SCHEMBL6203634 0.79 NTSR1 (0.57) EPHX1PPARGPPARAMAPTL3MBTL1
SCHEMBL22394830 0.78 EPHX1 (0.54) EPHX1PPARGPPARACNR2PSMB8
SCHEMBL1289928 0.77 CYP2C9 (0.48) MAPTL3MBTL1CYP1A2

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