SCHEMBL9577368

SCHEMBL9577368

CC#CC(C(=O)C(=O)O)c1sccc1C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
FFAR1 O14842 3/20 0.33
GSK3B P49841 1/20 0.33
ADRA1D P25100 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PKM P14618 1/20 0.31
POLB P06746 2/20 0.30

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
SCHEMBL9577306 0.75 ALOX5 (0.50) ALOX5FFAR1GSK3BADRA1DNPC1
SCHEMBL3541270 0.72 ALOX5 (0.50) ALOX5GSK3BADRA1DNPC1RAB9A
SCHEMBL26444844 0.70 ALOX5 (0.42) ALOX5FFAR1GSK3BADRA1D
SCHEMBL7642306 0.67 ALOX5 (0.49) ALOX5GSK3BADRA1DNPC1RAB9A
SCHEMBL2162247 0.67 ALOX5 (0.53) ALOX5GSK3BADRA1DNPC1RAB9A
SCHEMBL11902940 0.66 ALOX5 (0.51) ALOX5GSK3BADRA1DNPC1RAB9A
SCHEMBL27691011 0.65 ALOX5 (0.54) ALOX5GSK3BADRA1DNPC1RAB9A
SCHEMBL27953126 0.65 ALOX5 (0.50) ALOX5GSK3BADRA1DNPC1RAB9A
SCHEMBL11385827 0.64 ALOX5 (0.49) ALOX5GSK3BADRA1DNPC1RAB9A
SCHEMBL27512096 0.64 ALOX5 (0.45) ALOX5FFAR1GSK3BADRA1D

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