SCHEMBL9577404

SCHEMBL9577404

O=C(O)C(=O)C(Cc1ccccc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.67
CHRM1 P11229 11/20 0.53
UBE2N P61088 1/20 0.53
CYP1A2 P05177 1/20 0.50
ACP3 P15309 1/20 0.47
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
MDM2 Q00987 1/20 0.46

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
SCHEMBL9577453 0.88 EPHX1 (0.53) EPHX1CHRM1UBE2N
SCHEMBL9577478 0.88 EPHX1 (0.53) EPHX1CHRM1UBE2NPKM
SCHEMBL9577277 0.88 EPHX1 (0.53) EPHX1CHRM1UBE2NCYP1A2
SCHEMBL3079795 0.83 EPHX1 (0.71) EPHX1CHRM1UBE2NCYP1A2ACP3
SCHEMBL27600068 0.83 EPHX1 (0.71) EPHX1CHRM1UBE2NCYP1A2ACP3
SCHEMBL599399 0.83 EPHX1 (0.71) EPHX1CHRM1UBE2NCYP1A2ACP3
SCHEMBL67234 0.83 EPHX1 (0.71) EPHX1CHRM1UBE2NCYP1A2ACP3
Hydrochloric Acid SCHEMBL933353 0.82 EPHX1 (0.69) EPHX1CHRM1UBE2NCYP1A2ALPI
SCHEMBL1234701 0.82 EPHX1 (0.69) EPHX1CHRM1UBE2NCYP1A2ACP3
SCHEMBL9796627 0.81 EPHX1 (0.62) EPHX1CHRM1UBE2NCYP1A2ACP3

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 5 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
US-4447644-A Method for preparation of arylpyruvic acid DYNAMIT NOBEL AG (DE) 1984-05-08 US disclosed
US-4152352-A PRODUCTION OF ARYLPYRUVIC ACIDS RHONE-POULENC INDUSTRIES (FR) 1979-05-01 US disclosed