SCHEMBL14908389

SCHEMBL14908389

CC(C)COc1cc2oc(-c3ccc(OCC4CC4)c(OCC(F)(F)F)c3)nc2cn1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 6/20 0.38
ACACB O00763 5/20 0.38
CNR2 P34972 7/20 0.35
DHODH Q02127 1/20 0.34
MAPT P10636 2/20 0.34
CNR1 P21554 2/20 0.33
PDE4D Q08499 1/20 0.33
DGAT1 O75907 1/20 0.32
F2RL3 Q96RI0 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
SCHEMBL15968488 0.88 ACACB (0.48) ACACAACACB
SCHEMBL14908370 0.78 ACACB (0.49) ACACAACACB
SCHEMBL15968383 0.77 ACACB (0.49) ACACAACACBPDE4D
SCHEMBL15969365 0.75 ACACB (0.51) ACACAACACB
SCHEMBL15968509 0.75 ACACB (0.44) ACACAACACB
SCHEMBL15968652 0.73 ACACB (0.53) ACACAACACB
SCHEMBL15968445 0.73 ACACB (0.49) ACACAACACB
SCHEMBL15998368 0.73 ACACA (0.44) ACACAACACBMAPT
SCHEMBL14908399 0.70 GPR119 (0.37) ACACBMAPT
SCHEMBL15969178 0.70 ACACB (0.49) ACACAACACB

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
WO-2013061962-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2013-05-02 WO disclosed