SCHEMBL16004000

SCHEMBL16004000

CCOc1ccccc1NC(=O)N1CCOc2ccc(COCCN(C)C)cc2C1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 9/20 0.51
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
BLM P54132 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 1/20 0.40
MAPT P10636 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
SCHEMBL16003997 0.91 GPR142 (0.53) GPR142ALDH1A1HSD17B10LMNAGLA
SCHEMBL16004318 0.87 GPR142 (0.58) GPR142ALDH1A1HSD17B10LMNAGLA
SCHEMBL16003995 0.87 GPR142 (0.49) GPR142ALDH1A1HSD17B10LMNAGLA
SCHEMBL16004320 0.86 GPR142 (0.51) GPR142ALDH1A1HSD17B10LMNAGLA
SCHEMBL16004323 0.84 GPR142 (0.65) GPR142ALDH1A1MEN1KMT2AMAPT
SCHEMBL16004317 0.81 GPR142 (0.61) GPR142ALDH1A1MEN1KMT2AMAPT
SCHEMBL16004322 0.81 ALDH1A1 (0.42) GPR142ALDH1A1HSD17B10LMNAGLA
SCHEMBL16003996 0.80 GPR142 (0.60) GPR142ALDH1A1LMNAMEN1KMT2A
SCHEMBL16003994 0.80 GPR142 (0.60) GPR142ALDH1A1MAPT
SCHEMBL16004005 0.79 GPR142 (0.48) GPR142ALDH1A1LMNARAB9A

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