SCHEMBL9577360

SCHEMBL9577360

CC(C(=O)C(=O)O)c1ccc2c(c1)OCO2

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.62
PTGS2 P35354 1/20 0.62
KMT2A Q03164 4/20 0.50
HPGD P15428 1/20 0.50
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 1/20 0.49
MCL1 Q07820 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2C9 P11712 1/20 0.49
MAPK9 P45984 1/20 0.49
MAPK1 P28482 1/20 0.49
MME P08473 1/20 0.48

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
SCHEMBL805663 0.87 PTGS1 (0.81) PTGS1PTGS2KMT2AHPGDALDH1A1
SCHEMBL9220209 0.87 PTGS1 (0.81) PTGS1PTGS2KMT2AHPGDALDH1A1
SCHEMBL27598809 0.85 PTGS1 (0.63) PTGS1PTGS2KMT2AHPGDALDH1A1
SCHEMBL18252774 0.83 PTGS1 (0.61) PTGS1PTGS2KMT2AHPGDALDH1A1
SCHEMBL15695562 0.83 PTGS1 (0.66) PTGS1PTGS2KMT2AHPGDALDH1A1
SCHEMBL8796435 0.83 PTGS1 (0.66) PTGS1PTGS2KMT2AHPGDALDH1A1
SCHEMBL28574450 0.82 PTGS1 (0.59) PTGS1PTGS2KMT2AHPGDALDH1A1
SCHEMBL5717640 0.82 PTGS2 (0.59) PTGS1PTGS2KMT2AHPGDALDH1A1
SCHEMBL7402679 0.81 PTGS1 (0.55) PTGS1PTGS2KMT2AHPGDALDH1A1
SCHEMBL11452213 0.80 PTGS1 (0.57) PTGS1PTGS2ALDH1A1CYP1A2CYP3A4

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 4 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
EP-0386243-A1 PLATINUM (II) COMPLEXES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1990-09-12 EP disclosed