SCHEMBL31345892

SCHEMBL31345892

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.38
ALOX5 P09917 2/20 0.38
CTSV O60911 1/20 0.35
BACE1 P56817 5/20 0.33
PTGS1 P23219 2/20 0.32
ESR1 P03372 1/20 0.32
SLC5A1 P13866 1/20 0.32
SLC5A2 P31639 1/20 0.32
SOAT1 P35610 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
HIF1A Q16665 1/20 0.31
PTPN1 P18031 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL31345867 0.83 BACE1 (0.39) PTGESALOX5CTSVBACE1PTGS1
SCHEMBL31345924 0.77 PPARG (0.42) PTGESALOX5BACE1PTGS1PTPN1
SCHEMBL31345874 0.73 PTGES (0.59) PTGESALOX5CTSVACHEPTPN1
SCHEMBL31238191 0.64 PTGES (0.51) PTGESALOX5ACHEPTPN1CYP3A4
SCHEMBL10718965 0.59 CYP19A1 (0.44) PTGESALOX5CTSVALDH1A1CYP3A4
SCHEMBL31345911 0.57 PTGES (0.60) PTGESALOX5PTPN1ALDH1A1CYP3A4
SCHEMBL21936712 0.54 FASN (0.66) ALDH1A1
SCHEMBL31345870 0.53 CYP3A4 (0.60) PTGESALOX5HIF1APTPN1ALDH1A1
SCHEMBL809540 0.51 FASN (0.76) ALDH1A1CYP3A4
SCHEMBL29699163 0.51 FASN (0.76) ALDH1A1CYP3A4

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