SCHEMBL31345874

SCHEMBL31345874

COc1c(CC=C(C)C)c(O)c(C(=O)c2ccccc2)c2c1CC(O)C(C)(C)O2

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGES O14684 6/20 0.59
ALOX5 P09917 6/20 0.59
PPARG P37231 2/20 0.46
PPARD Q03181 2/20 0.46
PPARA Q07869 2/20 0.46
CYP19A1 P11511 2/20 0.44
CTSV O60911 1/20 0.40
IMPDH2 P12268 1/20 0.39
PTPN1 P18031 2/20 0.39
ACHE P22303 1/20 0.39
ABCB1 P08183 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
TYR P14679 2/20 0.37
RXRA P19793 1/20 0.37

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
SCHEMBL31238191 0.89 PTGES (0.51) PTGESALOX5PPARGPPARDPPARA
SCHEMBL31345911 0.79 PTGES (0.60) PTGESALOX5PPARGPPARDPPARA
SCHEMBL31345890 0.78 PPARG (0.66) PTGESALOX5PPARGPPARDPPARA
SCHEMBL31345875 0.76 PPARG (0.63) PTGESALOX5PPARGPPARDPPARA
SCHEMBL31345892 0.73 PTGES (0.38) PTGESALOX5CTSVPTPN1ACHE
SCHEMBL31345881 0.71 CYP3A4 (0.55) PTGESALOX5PTPN1
SCHEMBL31345868 0.69 PTPN1 (0.47) PTGESALOX5PPARGPPARDPPARA
SCHEMBL24074940 0.69 PPARG (0.49) PTGESALOX5PPARGPPARDPPARA
SCHEMBL22922172 0.69 CYP3A4 (0.57) PTGESALOX5PTPN1
Vismiaphenone D SCHEMBL4003423 0.69 PTPN1 (0.58) PTGESALOX5PPARGPPARDPPARA

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