SCHEMBL24176167

SCHEMBL24176167

C=C1CCC(O)/C(C)=C\CCC[C@@H]2[C@@H]1CC2(C)C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.56
PPARA Q07869 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
CYP3A4 P08684 6/20 0.50
USP2 O75604 1/20 0.47
FTH1 P02794 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS1 P23219 1/20 0.34
HSP90AA1 P07900 1/20 0.34
PTPN1 P18031 1/20 0.32

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
SCHEMBL11336498 0.85 CYP3A4 (0.63) CNR2PPARAMEN1KMT2ACYP3A4
SCHEMBL30808553 0.85 CYP3A4 (0.63) CNR2PPARAMEN1KMT2ACYP3A4
SCHEMBL30567187 0.85 CYP3A4 (0.63) CNR2PPARAMEN1KMT2ACYP3A4
SCHEMBL24176578 0.85 CYP3A4 (0.63) CNR2PPARAMEN1KMT2ACYP3A4
SCHEMBL11336500 0.85 CYP3A4 (0.63) CNR2PPARAMEN1KMT2ACYP3A4
SCHEMBL30808552 0.85 CYP3A4 (0.63) CNR2PPARAMEN1KMT2ACYP3A4
SCHEMBL30808554 0.85 CYP3A4 (0.63) CNR2PPARAMEN1KMT2ACYP3A4
SCHEMBL20608599 0.85 CYP3A4 (0.63) CNR2PPARAMEN1KMT2ACYP3A4
SCHEMBL20608600 0.85 CYP3A4 (0.63) CNR2PPARAMEN1KMT2ACYP3A4
SCHEMBL24176161 0.78 CYP3A4 (0.77) CNR2PPARAMEN1KMT2ACYP3A4

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
US-20220000157-A1 MOUTH-COATING FEEL ENHANCER AJINOMOTO CO., INC. (JP) 2022-01-06 US disclosed