SCHEMBL9577296

SCHEMBL9577296

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.37
RIPK1 Q13546 1/20 0.36
LMNA P02545 1/20 0.35
PKM P14618 2/20 0.34
POLB P06746 2/20 0.34
FFAR1 O14842 1/20 0.34
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
GAA P10253 3/20 0.33
ALOX5 P09917 2/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 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
SCHEMBL10697065 0.81 GSK3B (0.39) GSK3BRIPK1LMNAPKMPOLB
SCHEMBL11539034 0.76 GSK3B (0.38) GSK3BRIPK1LMNAPKMPOLB
SCHEMBL802210 0.75 PKM (0.38) GSK3BRIPK1LMNAPKMPOLB
Maleic Acid SCHEMBL9483854 0.74 HCAR2 (0.39) GSK3BRIPK1LMNAPOLBNPC1
SCHEMBL3234536 0.73 NPC1 (0.37) GSK3BRIPK1PKMNPC1RAB9A
SCHEMBL3820462 0.71 L3MBTL1 (0.35) GSK3BRIPK1LMNAPKMPOLB
SCHEMBL19862530 0.69 NPC1 (0.37) GSK3BRIPK1PKMNPC1RAB9A
SCHEMBL6675248 0.68 DAO (0.41) LMNAGAAALOX5ALDH1A1MEN1
SCHEMBL20909675 0.67 NPC1 (0.35) GSK3BRIPK1PKMNPC1RAB9A
SCHEMBL22733836 0.67 CYP2A6 (0.36) GSK3BRIPK1PKMNPC1RAB9A

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