SCHEMBL9630876

SCHEMBL9630876

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

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.77
NPC1 O15118 10/20 0.77
HSP90AA1 P07900 3/20 0.77
KMT2A Q03164 2/20 0.68
L3MBTL1 Q9Y468 4/20 0.65
POLB P06746 3/20 0.57
ALDH1A1 P00352 2/20 0.57
HPGD P15428 2/20 0.57
TSHR P16473 2/20 0.57
HSD17B10 Q99714 2/20 0.57
HTT P42858 1/20 0.56
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MAPT P10636 1/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL9630176 0.85 NPC1 (0.60) RAB9ANPC1HSP90AA1KMT2AL3MBTL1
SCHEMBL6815343 0.84 RAB9A (0.79) RAB9ANPC1HSP90AA1KMT2AL3MBTL1
SCHEMBL3561578 0.84 RAB9A (0.79) RAB9ANPC1HSP90AA1KMT2AL3MBTL1
SCHEMBL3563799 0.82 KMT2A (0.79) RAB9ANPC1HSP90AA1KMT2AL3MBTL1
SCHEMBL864179 0.82 RAB9A (0.74) RAB9ANPC1HSP90AA1KMT2AL3MBTL1
SCHEMBL16763420 0.81 KMT2A (1.00) RAB9ANPC1HSP90AA1KMT2AL3MBTL1
SCHEMBL19313566 0.79 KMT2A (0.69) RAB9ANPC1HSP90AA1KMT2AL3MBTL1
SCHEMBL16763369 0.78 KMT2A (0.72) RAB9ANPC1HSP90AA1KMT2AL3MBTL1
SCHEMBL18884363 0.77 HTT (0.69) RAB9ANPC1HSP90AA1KMT2AL3MBTL1
SCHEMBL9630150 0.77 HTT (0.47) RAB9ANPC1HSP90AA1KMT2AL3MBTL1

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