SCHEMBL31345868

SCHEMBL31345868

COc1c(CC=C(C)C)c(O)c(C(=O)c2ccc(O)cc2)c(O)c1C[C@@H]1OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.47
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
SMPD1 P17405 2/20 0.44
ALOX5 P09917 4/20 0.41
MAPT P10636 3/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
PDPK1 O15530 1/20 0.41
TTR P02766 1/20 0.41
ABCB1 P08183 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP3A4 P08684 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40

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
Vismiaphenone D SCHEMBL4003423 0.87 PTPN1 (0.58) PTPN1PPARGPPARDPPARASMPD1
SCHEMBL31345890 0.77 PPARG (0.66) PTPN1PPARGPPARDPPARASMPD1
SCHEMBL31345870 0.75 CYP3A4 (0.60) PTPN1ALOX5MAPTKDM4ECYP3A4
SCHEMBL31345875 0.73 PPARG (0.63) PTPN1PPARGPPARDPPARASMPD1
SCHEMBL31345893 0.70 CYP3A4 (0.56) PTPN1ALOX5MAPTKDM4ECYP3A4
SCHEMBL31345874 0.69 PTGES (0.59) PTPN1PPARGPPARDPPARAALOX5
SCHEMBL31345911 0.69 PTGES (0.60) PTPN1PPARGPPARDPPARAALOX5
SCHEMBL143839 0.66 PDPK1 (0.69) PTPN1ALOX5MAPTPDPK1TTR
SCHEMBL24074940 0.65 PPARG (0.49) PPARGPPARDPPARASMPD1ALOX5
SCHEMBL30834930 0.64 PDPK1 (0.65) ALOX5MAPTPDPK1TTRABCB1

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