SCHEMBL9717013

SCHEMBL9717013

CCCCCCCCCCOc1ccccc1/C=C/C(=O)NC(Cc1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.52
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
NFKB1 P19838 1/20 0.44
THPO P40225 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
CNR1 P21554 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL9716930 1.00 CNR2 (0.52) CNR2NOS3NOS1NOS2SMN1; SMN2
SCHEMBL9717052 1.00 CNR2 (0.52) CNR2NOS3NOS1NOS2SMN1; SMN2
SCHEMBL9717010 1.00 CNR2 (0.52) CNR2NOS3NOS1NOS2SMN1; SMN2
SCHEMBL9717046 1.00 CNR2 (0.52) CNR2NOS3NOS1NOS2SMN1; SMN2
SCHEMBL9716927 1.00 CNR2 (0.52) CNR2NOS3NOS1NOS2SMN1; SMN2
SCHEMBL9716924 1.00 CNR2 (0.52) CNR2NOS3NOS1NOS2SMN1; SMN2
SCHEMBL9717048 1.00 CNR2 (0.52) CNR2NOS3NOS1NOS2SMN1; SMN2
SCHEMBL9717009 1.00 CNR2 (0.52) CNR2NOS3NOS1NOS2SMN1; SMN2
SCHEMBL9716965 0.96 CNR2 (0.49) CNR2NOS3NOS1NOS2SMN1; SMN2
SCHEMBL9716962 0.96 CNR2 (0.49) CNR2NOS3NOS1NOS2SMN1; SMN2

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-1992009561-A1 NEW AMIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-06-11 WO disclosed