SCHEMBL9630236

SCHEMBL9630236

CC(=O)Cc1ccc(OCc2cc(C)c(C(N)=O)o2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.45
RAB9A P51151 9/20 0.45
MAPT P10636 2/20 0.45
HSP90AA1 P07900 2/20 0.45
PARP10 Q53GL7 3/20 0.44
POLB P06746 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
APEX1 P27695 1/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
AR P10275 1/20 0.41

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
SCHEMBL10770200 0.90 NPC1 (0.51) NPC1RAB9AMAPTHSP90AA1POLB
SCHEMBL2652627 0.72 POLB (0.47) NPC1RAB9AHSP90AA1PARP10POLB
SCHEMBL4748257 0.72 NPC1 (0.51) NPC1RAB9AHSP90AA1POLBTDP1
SCHEMBL9630876 0.72 RAB9A (0.77) NPC1RAB9AMAPTHSP90AA1POLB
SCHEMBL9630176 0.71 NPC1 (0.60) NPC1RAB9AMAPTHSP90AA1POLB
SCHEMBL9515115 0.71 NPC1 (0.44) NPC1RAB9AMAPTHSP90AA1POLB
SCHEMBL2558105 0.70 RAB9A (0.49) NPC1RAB9AHSP90AA1POLBTDP1
SCHEMBL9517796 0.70 POLB (0.54) RAB9AMAPTPOLBTDP1L3MBTL1
SCHEMBL9516597 0.69 DAO (0.66)
SCHEMBL68570 0.68 ALOX5 (0.69) NPC1RAB9APARP10L3MBTL1SMN1; SMN2

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