SCHEMBL9630176

SCHEMBL9630176

CNC(=O)c1ccc(COc2ccc(CC(C)=O)cc2)o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.60
RAB9A P51151 7/20 0.60
MAPT P10636 3/20 0.60
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
POLB P06746 2/20 0.56
HSP90AA1 P07900 1/20 0.56
ALDH1A1 P00352 3/20 0.54
GAA P10253 2/20 0.54
LMNA P02545 1/20 0.54
AR P10275 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 2/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL9630876 0.85 RAB9A (0.77) NPC1RAB9AMAPTKMT2APOLB
SCHEMBL22856757 0.77 HTT (0.47) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL24141510 0.74 NPC1 (0.61) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL22856758 0.74 NPC1 (0.54) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL12442506 0.73 MAPT (0.76) NPC1RAB9AMAPTKMT2AALDH1A1
SCHEMBL12443358 0.72 NPC1 (0.75) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL12443393 0.72 NPC1 (0.75) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL8880979 0.72 POLB (0.51) KMT2AMEN1POLBGAACYP1A2
SCHEMBL9630236 0.71 NPC1 (0.45) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL10770200 0.71 NPC1 (0.51) NPC1RAB9AMAPTKMT2APOLB

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
US-5153210-A Hypoglycemic agent, animal growth regulator; veterinary medicine BEECHAM GROUP P.L.C. (GB) 1992-10-06 US disclosed
EP-0236624-A2 Substituted phenyl ethanol amines, processes for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1987-09-16 EP disclosed