SCHEMBL16004149

SCHEMBL16004149

COc1ccc(CC(=O)N2CCOc3ccc(C(C)OCc4cccc(F)c4)cc3C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 3/20 0.42
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
MGAT3 Q09327 2/20 0.40
RIPK1 Q13546 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 3/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DGAT1 O75907 1/20 0.39
MGAT2 Q10469 1/20 0.39
GAA P10253 1/20 0.38
CREBBP Q92793 1/20 0.38
NPC1 O15118 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL16004165 1.00 GPR142 (0.42) GPR142ABCB1ABCC1MGAT3RIPK1
SCHEMBL16004153 1.00 GPR142 (0.42) GPR142ABCB1ABCC1MGAT3RIPK1
SCHEMBL16004136 0.88 GPR142 (0.46) GPR142ABCB1ABCC1MGAT3RIPK1
SCHEMBL16004148 0.82 GPR142 (0.46) GPR142ABCB1ABCC1MGAT3RIPK1
SCHEMBL16004253 0.80 SMN1; SMN2 (0.54) GPR142ABCB1ABCC1RIPK1SMN1; SMN2
SCHEMBL16004302 0.79 ALDH1A1 (0.51) GPR142RIPK1SMN1; SMN2L3MBTL1MAPT
SCHEMBL16004234 0.79 GPR142 (0.46) GPR142RIPK1SMN1; SMN2CREBBPNPC1
SCHEMBL16004008 0.78 GPR142 (0.42) GPR142RIPK1SMN1; SMN2MAPTKMT2A
SCHEMBL16004014 0.78 GPR142 (0.42) GPR142RIPK1SMN1; SMN2MAPTKMT2A
SCHEMBL16004007 0.78 GPR142 (0.42) GPR142RIPK1SMN1; SMN2MAPTKMT2A

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