SCHEMBL9577478

SCHEMBL9577478

Cc1ccc(CC(C(=O)C(=O)O)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
PSMB5 P28074 2/20 0.51
ALDH1A1 P00352 1/20 0.48
PSMB8 P28062 1/20 0.47
CHRM1 P11229 6/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
UBE2N P61088 1/20 0.47
PKM P14618 1/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44

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
SCHEMBL9577404 0.88 EPHX1 (0.67) EPHX1CHRM1UBE2NPKM
SCHEMBL27871545 0.86 MEN1 (0.59) EPHX1MEN1KMT2APSMB5ALDH1A1
SCHEMBL22394826 0.86 SMN1; SMN2 (0.56) EPHX1MEN1KMT2APSMB5ALDH1A1
SCHEMBL3371227 0.85 ESR1 (0.62) EPHX1MEN1KMT2APSMB5ALDH1A1
SCHEMBL11021257 0.83 EPHX1 (0.77) EPHX1MEN1KMT2APSMB5ALDH1A1
SCHEMBL9577453 0.83 EPHX1 (0.53) EPHX1ALDH1A1CHRM1UBE2N
SCHEMBL22394804 0.81 ESR1 (0.65) EPHX1MEN1KMT2APSMB5ALDH1A1
SCHEMBL27875737 0.79 EPHX1 (0.56) EPHX1MEN1KMT2APSMB5ALDH1A1
SCHEMBL29152992 0.79 P4HTM (0.56) EPHX1MEN1KMT2ACHRM1SMN1; SMN2
SCHEMBL5145520 0.78 ESR1 (0.50) EPHX1MEN1KMT2APSMB5ALDH1A1

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