SCHEMBL14149259

SCHEMBL14149259

Bc1cnn(C(C)(C)C(=O)OCC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
FGFR3 P22607 1/20 0.36
KDR P35968 1/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 2/20 0.35
ABCB11 O95342 1/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
HTR2A P28223 1/20 0.35
PMP22 Q01453 1/20 0.35
PPARA Q07869 1/20 0.35
CYP2C19 P33261 1/20 0.33
PIN1 Q13526 1/20 0.33
OPRK1 P41145 1/20 0.33
MMP8 P22894 1/20 0.33
HPGD P15428 1/20 0.32
CNR2 P34972 2/20 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
SCHEMBL16985332 0.84 CYP4F2 (0.45) CYP4F2CYP4A11KMT2AALDH1A1FGFR3
SCHEMBL29427420 0.81 ABCB11 (0.44) CYP4F2CYP4A11KMT2AALDH1A1FGFR3
SCHEMBL16423620 0.81 CYP4F2 (0.43) CYP4F2CYP4A11KMT2AALDH1A1FGFR3
SCHEMBL4076690 0.81 CYP4F2 (0.43) CYP4F2CYP4A11KMT2AALDH1A1FGFR3
SCHEMBL13412138 0.81 CYP4F2 (0.43) CYP4F2CYP4A11ALDH1A1FGFR3KDR
SCHEMBL24627322 0.79 CYP4F2 (0.41) CYP4F2CYP4A11KMT2AALDH1A1FGFR3
SCHEMBL15895031 0.77 MAPT (0.42) CYP4F2CYP4A11KMT2AALDH1A1CYP3A4
SCHEMBL25380972 0.77 FGFR3 (0.47) CYP4F2CYP4A11KMT2AALDH1A1FGFR3
SCHEMBL22070525 0.75 CYP4F2 (0.58) CYP4F2CYP4A11KMT2AALDH1A1FGFR3
SCHEMBL19006417 0.71 CYP4F2 (0.45) CYP4F2CYP4A11KMT2AALDH1A1CYP3A4

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-2008088881-A1 KINASE INHIBITOR COMPOUNDS XCOVERY, INC. (US) 2008-07-24 WO disclosed