SCHEMBL17804341

SCHEMBL17804341

C=Cc1cc(C(=O)OC)c(C)c(N(C)C2CCCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 7/20 0.38
OPRK1 P41145 3/20 0.36
ALDH1A1 P00352 6/20 0.35
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL17804357 0.84 EZH2 (0.38) EZH2ALDH1A1NPC1KDM4E
SCHEMBL18829944 0.83 EZH2 (0.41) EZH2OPRK1ALDH1A1GAAMAPT
SCHEMBL13277322 0.81 EZH2 (0.54) EZH2OPRK1
SCHEMBL18829978 0.81 EZH2 (0.40) EZH2OPRK1ALDH1A1GAAMAPT
SCHEMBL13280720 0.81 EZH2 (0.40) EZH2OPRK1ALDH1A1NPSR1NPC1
SCHEMBL30687996 0.80 EZH2 (0.53) EZH2OPRK1
SCHEMBL13276867 0.80 EZH2 (0.53) EZH2OPRK1
SCHEMBL13280289 0.80 MEN1 (0.41) EZH2OPRK1ALDH1A1GAAMAPT
SCHEMBL15710441 0.80 MEN1 (0.40) EZH2OPRK1ALDH1A1NPC1KDM4E
SCHEMBL15709875 0.79 CFTR (0.40) EZH2OPRK1ALDH1A1

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-2697198-B1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2016-06-08 EP disclosed