SCHEMBL20608599

SCHEMBL20608599

C=C1CC[C@H](O)/C(C)=C/C[C@@H]2[C@@H]1CC2(C)C

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.63
USP2 O75604 1/20 0.63
CNR2 P34972 2/20 0.52
PPARA Q07869 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
FTH1 P02794 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSP90AA1 P07900 1/20 0.43
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
PTGS1 P23219 1/20 0.33
PTPN1 P18031 2/20 0.33
ABCB1 P08183 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
SCHEMBL11336498 1.00 CYP3A4 (0.63) CYP3A4USP2CNR2PPARAMEN1
SCHEMBL30808553 1.00 CYP3A4 (0.63) CYP3A4USP2CNR2PPARAMEN1
SCHEMBL30808554 1.00 CYP3A4 (0.63) CYP3A4USP2CNR2PPARAMEN1
SCHEMBL30808552 1.00 CYP3A4 (0.63) CYP3A4USP2CNR2PPARAMEN1
SCHEMBL11336500 1.00 CYP3A4 (0.63) CYP3A4USP2CNR2PPARAMEN1
SCHEMBL24176578 1.00 CYP3A4 (0.63) CYP3A4USP2CNR2PPARAMEN1
SCHEMBL30567187 1.00 CYP3A4 (0.63) CYP3A4USP2CNR2PPARAMEN1
SCHEMBL20608600 1.00 CYP3A4 (0.63) CYP3A4USP2CNR2PPARAMEN1
SCHEMBL24176167 0.85 CNR2 (0.56) CYP3A4USP2CNR2PPARAMEN1
SCHEMBL24176161 0.78 CYP3A4 (0.77) CYP3A4USP2CNR2PPARAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190010293-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US claimed
US-20190010427-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US claimed
US-20190010427-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US disclosed