SCHEMBL9853018

SCHEMBL9853018

CCOC(=O)CN(C)C(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LTA4H P09960 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
TP53 P04637 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 2/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
PIN1 Q13526 1/20 0.41
GAA P10253 1/20 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
SCHEMBL10424998 0.80 KMT2A (0.43) MMP8SMN1; SMN2ALDH1A1MAPTTP53
SCHEMBL4272149 0.79 MEN1 (0.45) MEN1KMT2AOPRM1OPRD1CYP2D6
SCHEMBL9575042 0.79 MMP8 (0.41) MMP8SMN1; SMN2ALDH1A1TP53MEN1
SCHEMBL29582293 0.77 TP53 (0.48) MMP8SMN1; SMN2ALDH1A1MAPTTP53
SCHEMBL6006261 0.75 LTA4H (0.50) SMN1; SMN2LTA4HALDH1A1KDM4EMAPT
SCHEMBL6005401 0.75 LTA4H (0.50) SMN1; SMN2LTA4HALDH1A1KDM4EMAPT
SCHEMBL557889 0.75 SMN1; SMN2 (0.55) SMN1; SMN2LTA4HALDH1A1KDM4EMAPT
SCHEMBL11990750 0.74 CHRNB2 (0.54) MMP8SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL7178642 0.74 ALDH1A1 (0.55) MMP8SMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL11315773 0.74 ALOX5 (0.51) MMP8SMN1; SMN2LTA4HALDH1A1MAPT

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
EP-0441226-A1 (cyanomethyl)pyridines useful as PAF antagonists J. URIACH & CIA. S.A. (ES) 1991-08-14 EP disclosed