SCHEMBL9577306

SCHEMBL9577306

Cc1ccsc1C(C)C(=O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.50
ADRA1D P25100 2/20 0.38
GSK3B P49841 1/20 0.37
POLB P06746 2/20 0.34
PKM P14618 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
FFAR1 O14842 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
NR4A1 P22736 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
ESR2 Q92731 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL2162247 0.85 ALOX5 (0.53) ALOX5ADRA1DGSK3BPOLBPKM
SCHEMBL27691011 0.82 ALOX5 (0.54) ALOX5ADRA1DGSK3BPOLBPKM
SCHEMBL9639925 0.79 ALOX5 (0.51) ALOX5ADRA1DGSK3BPOLBNPC1
SCHEMBL26444844 0.76 ALOX5 (0.42) ALOX5ADRA1DGSK3BFFAR1GAA
SCHEMBL9577368 0.75 ALOX5 (0.41) ALOX5ADRA1DGSK3BPOLBPKM
SCHEMBL3541270 0.75 ALOX5 (0.50) ALOX5ADRA1DGSK3BPOLBPKM
SCHEMBL7642306 0.73 ALOX5 (0.49) ALOX5ADRA1DGSK3BPOLBPKM
Hydrochloric Acid SCHEMBL10919346 0.73 ALOX5 (0.49) ALOX5ADRA1DGSK3BPOLBPKM
SCHEMBL11902940 0.72 ALOX5 (0.51) ALOX5ADRA1DGSK3BPOLBPKM
SCHEMBL27953126 0.71 ALOX5 (0.50) ALOX5ADRA1DGSK3BPOLBPKM

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