SCHEMBL16149381

SCHEMBL16149381

C[C@H](O)CC(N)OC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.38
KIF11 P52732 5/20 0.38
ANPEP P15144 1/20 0.36
LAP3 P28838 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2C P18825 1/20 0.36
HIF1A Q16665 1/20 0.36
CYP2D6 P10635 3/20 0.36
CYP1A2 P05177 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
KCNH2 Q12809 1/20 0.35
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL16148829 1.00 LMNA (0.38) LMNAKIF11ANPEPLAP3KDM4E
SCHEMBL9752682 0.78 KIF11 (0.42) LMNAKIF11KDM4EMAPK1MAOA
SCHEMBL4421575 0.75 KIF11 (0.45) LMNAKIF11KCNH2SMN1; SMN2
SCHEMBL16062155 0.75 ALDH1A1 (0.41) LMNAKIF11KDM4EADRA2AADRA2C
SCHEMBL28227393 0.72 TRPA1 (0.40) LMNAKIF11KDM4EMAPK1GRIN1
SCHEMBL5899999 0.72 ALDH1A1 (0.39) LMNAKIF11KDM4EADRA2AADRA2C
SCHEMBL4367368 0.71 MAPK1 (0.42) KIF11CYP2D6CYP1A2ALDH1A1CYP2C19
SCHEMBL1487205 0.71 LMNA (0.52) LMNAKIF11CYP2D6CYP1A2ALDH1A1
SCHEMBL9668861 0.71 KIF11 (0.47) KIF11CYP2D6CYP1A2MAPK1SMN1; SMN2
SCHEMBL3529955 0.71 TRPA1 (0.38) LMNAKIF11HIF1ACYP2D6CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970312-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME The Regents of The University of Michigan (US) 2016-01-20 EP disclosed
WO-2014164596-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-10-09 WO disclosed