SCHEMBL9577449

SCHEMBL9577449

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.49
CYP2C9 P11712 4/20 0.46
CYP2C19 P33261 3/20 0.46
POLB P06746 2/20 0.45
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CYP2D6 P10635 2/20 0.41
BRD4 O60885 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
GABBR2 O75899 3/20 0.40
GABBR1 Q9UBS5 3/20 0.40
LMNA P02545 2/20 0.40
CYP3A4 P08684 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL6344322 0.86 POLB (0.55) FFAR2CYP2C9CYP2C19POLBMMP2
SCHEMBL1289928 0.86 CYP2C9 (0.48) FFAR2CYP2C9CYP2C19POLBKMT2A
SCHEMBL8079874 0.84 CYP2C19 (0.48) CYP2C9CYP2C19POLBCYP2D6LMNA
SCHEMBL9240062 0.84 CYP2C19 (0.48) CYP2C9CYP2C19POLBCYP2D6LMNA
SCHEMBL27438873 0.82 FFAR2 (0.51) FFAR2CYP2C9CYP2C19POLBMMP2
SCHEMBL3637896 0.81 FFAR2 (0.50) FFAR2CYP2C9CYP2C19POLBMMP2
SCHEMBL11859297 0.78 L3MBTL1 (0.58) FFAR2CYP2C9CYP2C19POLBPPARG
SCHEMBL1356006 0.78 ALOX15 (0.52) FFAR2CYP2C9CYP2C19POLBMMP2
SCHEMBL2194696 0.78 ALOX15 (0.52) FFAR2CYP2C9CYP2C19POLBMMP2
SCHEMBL9577362 0.77 CYP2C9 (0.47) CYP2C9CYP2C19POLBPPARGPPARA

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