SCHEMBL9577440

SCHEMBL9577440

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.50
ESR2 Q92731 4/20 0.50
PDCD1 Q15116 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
PTGS2 P35354 5/20 0.44
CYP2C9 P11712 4/20 0.42
MAPT P10636 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
GAA P10253 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
APP P05067 1/20 0.42
SRC P12931 1/20 0.42
CPT1B Q92523 1/20 0.41
PTGS1 P23219 5/20 0.41
LMNA P02545 3/20 0.41
AKR1C3 P42330 2/20 0.41
CXCR1 P25024 2/20 0.41

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
SCHEMBL9577330 0.84 CYP2C9 (0.52) ESR1PTGS2CYP2C9PTGS1LMNA
SCHEMBL9577465 0.83 ALOX5 (0.44) ESR1PTGS2CYP2C9SMN1; SMN2PTGS1
SCHEMBL288003 0.82 PTGS2 (0.63) ESR1ESR2PDCD1CD274PTGS2
SCHEMBL7973447 0.82 PTGS2 (0.52) PTGS2MAPTCYP3A4SMN1; SMN2SRC
SCHEMBL29273241 0.82 PTGS2 (0.52) PTGS2MAPTCYP3A4SMN1; SMN2SRC
SCHEMBL1345582 0.82 PTGS2 (0.63) ESR1ESR2PDCD1CD274PTGS2
SCHEMBL851630 0.82 PTGS2 (0.52) PTGS2MAPTCYP3A4SMN1; SMN2SRC
SCHEMBL892055 0.82 PTGS2 (0.63) ESR1ESR2PDCD1CD274PTGS2
SCHEMBL10443227 0.81 GRM7 (0.44) ESR1PTGS2CYP2C9PTGS1LMNA
SCHEMBL9577333 0.81 BRD4 (0.47) ESR1PTGS2CYP2C9CYP3A4CYP2C19

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