SCHEMBL9577302

SCHEMBL9577302

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.53
FFAR2 O15552 1/20 0.50
KMT2A Q03164 3/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 2/20 0.41
CYP2C9 P11712 4/20 0.41
MEN1 O00255 2/20 0.41
CYP2D6 P10635 2/20 0.41
GABBR2 O75899 3/20 0.39
GABBR1 Q9UBS5 3/20 0.39
LMNA P02545 2/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
NFKB1 P19838 1/20 0.39
DRD3 P35462 1/20 0.39
BLM P54132 1/20 0.39
CYP1A2 P05177 1/20 0.39
THRB P10828 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL21561158 0.86 CYP2C19 (0.71) CYP2C19FFAR2KMT2AATML3MBTL1
SCHEMBL19803299 0.86 CYP2C19 (0.71) CYP2C19FFAR2KMT2AATML3MBTL1
SCHEMBL4029220 0.86 CYP2C19 (0.71) CYP2C19FFAR2KMT2AATML3MBTL1
SCHEMBL9577255 0.84 CYP2C19 (0.73) CYP2C19L3MBTL1CYP2D6LMNATSHR
SCHEMBL13946462 0.83 FFAR2 (0.52) CYP2C19FFAR2KMT2AATML3MBTL1
SCHEMBL19803300 0.81 FFAR2 (0.51) CYP2C19FFAR2KMT2AATML3MBTL1
SCHEMBL9577376 0.80 CYP2C19 (0.49) CYP2C19L3MBTL1CYP2D6CYP3A4CYP1A2
SCHEMBL1289928 0.77 CYP2C9 (0.48) CYP2C19FFAR2KMT2AL3MBTL1POLB
SCHEMBL9577362 0.76 CYP2C9 (0.47) CYP2C19KMT2APOLBCYP2C9MEN1
SCHEMBL9577449 0.75 FFAR2 (0.49) CYP2C19FFAR2KMT2APOLBCYP2C9

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