SCHEMBL29595346

SCHEMBL29595346

CC(C=O)c1ccc(-c2ccc(C(C)C=O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.41
PTGS2 P35354 2/20 0.40
GRIA4 P48058 3/20 0.36
KIF11 P52732 1/20 0.35
ERN1 O75460 2/20 0.35
PTPN5 P54829 2/20 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
SCHEMBL21628043 0.92 TYR (0.46) TYRPTGS2
SCHEMBL10594958 0.91 PTGS2 (0.53) PTGS2GRIA4
SCHEMBL9680746 0.89 ALDH1A1 (0.39) TYRPTGS2
SCHEMBL454717 0.84 TYR (0.58) TYR
SCHEMBL874206 0.84 TYR (0.58) TYR
SCHEMBL26935634 0.84 HSD17B1 (0.52) PTGS2KIF11
SCHEMBL27541434 0.84 ATM (0.42) PTGS2ERN1
SCHEMBL4831627 0.82 CYP2A6 (0.44) TYRGRIA4
Methane SCHEMBL28983045 0.82 TYR (0.56) TYR
SCHEMBL1532439 0.82 CYP2A6 (0.44) TYRGRIA4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022076359-A1 A PROCESS FOR MAKING ENOL ETHERS EASTMAN CHEMICAL COMPANY (US) 2022-04-14 WO claimed
WO-2022076359-A1 A PROCESS FOR MAKING ENOL ETHERS EASTMAN CHEMICAL COMPANY (US) 2022-04-14 WO disclosed