SCHEMBL24199642

SCHEMBL24199642

C=C1C(C)CC2C(CC2(C)C)C(=C)CCC1O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.52
CNR2 P34972 2/20 0.47
PPARA Q07869 2/20 0.47
FTH1 P02794 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
USP2 O75604 1/20 0.40
HSP90AA1 P07900 1/20 0.33
PTPN1 P18031 1/20 0.30
ABCB1 P08183 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
SCHEMBL24176161 0.80 CYP3A4 (0.77) CYP3A4CNR2PPARAFTH1CYP2C9
SCHEMBL29978558 0.80 CYP3A4 (0.77) CYP3A4CNR2PPARAFTH1CYP2C9
SCHEMBL11307470 0.80 CYP3A4 (0.77) CYP3A4CNR2PPARAFTH1CYP2C9
SCHEMBL24176295 0.80 CYP3A4 (0.77) CYP3A4CNR2PPARAFTH1CYP2C9
SCHEMBL31690254 0.80 CYP3A4 (0.77) CYP3A4CNR2PPARAFTH1CYP2C9
SCHEMBL18059877 0.73 CYP3A4 (0.55) CYP3A4CNR2PPARAFTH1CYP2C9
SCHEMBL15588779 0.73 CYP3A4 (0.55) CYP3A4CNR2PPARAFTH1CYP2C9
SCHEMBL24176578 0.73 CYP3A4 (0.63) CYP3A4CNR2PPARAFTH1CYP2C9
SCHEMBL20608599 0.73 CYP3A4 (0.63) CYP3A4CNR2PPARAFTH1CYP2C9
SCHEMBL20608600 0.73 CYP3A4 (0.63) CYP3A4CNR2PPARAFTH1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3939434-A1 MOUTH-COATING FEEL ENHANCER AJINOMOTO CO., INC. (JP) 2022-01-19 EP disclosed