SCHEMBL28042386

SCHEMBL28042386

CCCCCCCCCCCCCCCCOC(=O)CCc1ccc(O)c(C(C)(C)CCCC)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.49
CNR1 P21554 3/20 0.47
CNR2 P34972 3/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2B6 P20813 1/20 0.45
CYP2C19 P33261 1/20 0.45
IAPP P10997 1/20 0.42
S1PR4 O95977 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
KAT8 Q9H7Z6 2/20 0.41

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
SCHEMBL28042390 1.00 APP (0.49) APPCNR1CNR2CYP1A2CYP3A4
SCHEMBL28042160 1.00 APP (0.49) APPCNR1CNR2CYP1A2CYP3A4
SCHEMBL28042165 1.00 APP (0.49) APPCNR1CNR2CYP1A2CYP3A4
SCHEMBL28042371 1.00 APP (0.49) APPCNR1CNR2CYP1A2CYP3A4
SCHEMBL28042375 1.00 APP (0.49) APPCNR1CNR2CYP1A2CYP3A4
SCHEMBL28042173 1.00 APP (0.49) APPCNR1CNR2CYP1A2CYP3A4
SCHEMBL28042170 1.00 APP (0.49) APPCNR1CNR2CYP1A2CYP3A4
SCHEMBL28042410 0.95 APP (0.49) APPCNR1CNR2CYP1A2CYP3A4
SCHEMBL28042374 0.95 APP (0.49) APPCNR1CNR2CYP1A2CYP3A4
SCHEMBL28042379 0.95 APP (0.49) APPCNR1CNR2CYP1A2CYP3A4

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
CN-105102530-A Poly-1-butene resin composition MITSU CHEMICALS INC 2015-11-25 CN disclosed