SCHEMBL9577330

SCHEMBL9577330

CC(C)c1ccc(C(C)C(=O)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.52
CYP2D6 P10635 1/20 0.48
HIF1A Q16665 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
USP5 P45974 1/20 0.46
PTGS2 P35354 5/20 0.45
TYR P14679 2/20 0.43
PTGS1 P23219 4/20 0.42
LMNA P02545 2/20 0.42
AKR1C3 P42330 2/20 0.42
CXCR1 P25024 2/20 0.42
CXCR2 P25025 2/20 0.42
ALB P02768 1/20 0.42
ESR1 P03372 1/20 0.42
ALOX5 P09917 1/20 0.42
RARB P10826 1/20 0.42
ADRB3 P13945 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR2A P28223 1/20 0.42

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
SCHEMBL9577333 0.87 BRD4 (0.47) CYP2C9CYP2D6PTGS2PTGS1LMNA
SCHEMBL14511593 0.87 PTGS2 (0.42) CYP2C9CYP2D6HIF1APTGS2PTGS1
SCHEMBL9577440 0.84 ESR1 (0.50) CYP2C9CYP2D6PTGS2PTGS1LMNA
SCHEMBL9577465 0.84 ALOX5 (0.44) CYP2C9PTGS2PTGS1LMNAAKR1C3
SCHEMBL7973447 0.84 PTGS2 (0.52) CYP2D6HIF1AKDM4EMAPK1PTGS2
SCHEMBL851630 0.84 PTGS2 (0.52) CYP2D6HIF1AKDM4EMAPK1PTGS2
SCHEMBL29273241 0.84 PTGS2 (0.52) CYP2D6HIF1AKDM4EMAPK1PTGS2
SCHEMBL9577279 0.83 TSHR (0.50) CYP2C9PTGS2TYRTSHRKMT2A
SCHEMBL10443227 0.83 GRM7 (0.44) CYP2C9KDM4EPTGS2PTGS1LMNA
SCHEMBL1290070 0.83 CYP1A2 (0.47) CYP2C9CYP2D6PTGS2PTGS1LMNA

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 4 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
EP-0386243-A1 PLATINUM (II) COMPLEXES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1990-09-12 EP disclosed