SCHEMBL16004240

SCHEMBL16004240

CCOc1ccccc1NC(=O)N1CCOc2ccc([C@@H](C)OCc3cccc(F)c3)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 12/20 0.47
ALDH1A1 P00352 2/20 0.42
BLM P54132 1/20 0.42
RIPK1 Q13546 1/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40

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
SCHEMBL16004239 1.00 GPR142 (0.47) GPR142ALDH1A1BLMRIPK1MAPT
SCHEMBL16004234 0.89 GPR142 (0.46) GPR142RIPK1
SCHEMBL16004003 0.84 GPR142 (0.47) GPR142ALDH1A1BLMRIPK1MAPT
SCHEMBL16004007 0.83 GPR142 (0.42) GPR142ALDH1A1RIPK1MAPTLMNA
SCHEMBL16004008 0.83 GPR142 (0.42) GPR142ALDH1A1RIPK1MAPTLMNA
SCHEMBL16004014 0.83 GPR142 (0.42) GPR142ALDH1A1RIPK1MAPTLMNA
SCHEMBL16004318 0.80 GPR142 (0.58) GPR142ALDH1A1BLMMAPTLMNA
SCHEMBL16003997 0.77 GPR142 (0.53) GPR142ALDH1A1BLMMAPTLMNA
SCHEMBL16004000 0.77 GPR142 (0.51) GPR142ALDH1A1BLMMAPTLMNA
SCHEMBL16004165 0.76 GPR142 (0.42) GPR142ALDH1A1RIPK1MAPTHSD17B10

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-2014133414-A2 HETEROCYCLIC TGR5 BILE ACID RECEPTOR AGONISTS, PHARMACEUTICAL COMPOSITION, METHODS FOR THE PRODUCTION AND USE THEREOF АЛЛА ХЕМ ЛЛС (US) 2014-09-04 WO disclosed