SCHEMBL31345867

SCHEMBL31345867

C=C(C)CCC(Cc1c(O)c(C(=O)c2cccc(O)c2)c2c(c1OC)CC(C(C)(C)O)O2)C(=C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.39
PTGES O14684 2/20 0.37
ALOX5 P09917 2/20 0.37
CTSV O60911 1/20 0.35
PTGS1 P23219 2/20 0.32
SLC5A1 P13866 2/20 0.32
SLC5A2 P31639 2/20 0.32
ESR1 P03372 1/20 0.32
SOAT1 P35610 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 1/20 0.30
CACNA1G O43497 1/20 0.30
CACNA1H O95180 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30

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
SCHEMBL31345892 0.83 PTGES (0.38) BACE1PTGESALOX5CTSVPTGS1
SCHEMBL31345924 0.76 PPARG (0.42) BACE1PTGESALOX5PTGS1HSD17B1
SCHEMBL31238104 0.63 PTGES (0.52) PTGESALOX5ESR1ACHEABCG2
SCHEMBL31238116 0.60 PTPN1 (0.52) PTGESALOX5ESR1ACHECACNA1H
SCHEMBL31345874 0.54 PTGES (0.59) PTGESALOX5CTSVACHE
SCHEMBL21936712 0.54 FASN (0.66) HSD17B1HSD17B2
SCHEMBL809540 0.51 FASN (0.76) HSD17B1HSD17B2
SCHEMBL29699163 0.51 FASN (0.76) HSD17B1HSD17B2
SCHEMBL9339134 0.50 CLK1 (0.62) ESR1HSD17B1HSD17B2
SCHEMBL21690170 0.50 ABCG2 (0.50) ESR1ABCG2

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-2025024478-A1 COMPOSITIONS FOR THE MODULATION OF TASTE IXORA SCIENTIFIC INC. (US) 2025-01-30 WO claimed
WO-2025024478-A1 COMPOSITIONS FOR THE MODULATION OF TASTE IXORA SCIENTIFIC INC. (US) 2025-01-30 WO disclosed