SCHEMBL27799261

SCHEMBL27799261

CCOC(=O)C(CC(C)C)c1cc(-c2ccccc2)c(OCC2CC2)c(Cl)c1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.53
CTSS P25774 3/20 0.35
CTSK P43235 3/20 0.35
CNR2 P34972 3/20 0.35
GPR88 Q9GZN0 3/20 0.34
CNR1 P21554 1/20 0.34
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
PDCD1 Q15116 2/20 0.33
CD274 Q9NZQ7 2/20 0.33
PDK2 Q15119 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 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
SCHEMBL15111458 0.93 APP (0.53) APPCTSSCTSKCNR2CNR1
SCHEMBL27799349 0.91 APP (0.61) APPCTSSCTSKCNR2GPR88
SCHEMBL27799350 0.90 APP (0.49) APPCTSSCTSKCNR2GPR88
SCHEMBL27820300 0.90 APP (0.49) APPCTSSCTSKCNR2GPR88
SCHEMBL15111270 0.88 APP (0.39) APPCTSSCTSKPSEN1PSEN2
SCHEMBL27799275 0.88 APP (0.48) APPCTSSCTSKCNR2GPR88
SCHEMBL27820362 0.88 APP (0.47) APPCTSSCTSKCNR2GPR88
SCHEMBL27799270 0.87 APP (0.47) APPCTSSCTSKCNR2GPR88
SCHEMBL15111459 0.84 APP (0.47) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL27820425 0.84 APP (0.61) APPCNR2GPR88CNR1PSEN1

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-101945848-A Tetrasubstituted benzenes ENVIVO PHARMACEUTICALS INC 2011-01-12 CN disclosed