SCHEMBL8767658

SCHEMBL8767658

CSC(CCc1ccccc1)C(C)CCN1CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
KMT2A Q03164 6/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 5/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 1/20 0.40
GPR55 Q9Y2T6 2/20 0.39
POLB P06746 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
SCHEMBL8766491 0.79 KDM4E (0.41) NPC1RAB9AKMT2AL3MBTL1MEN1
SCHEMBL11513541 0.74 NPC1 (0.58) NPC1RAB9AKMT2AL3MBTL1MEN1
SCHEMBL4314794 0.71 PKM (0.44) NPC1RAB9AKMT2AL3MBTL1MEN1
SCHEMBL4317705 0.71 PKM (0.44) NPC1RAB9AKMT2AL3MBTL1MEN1
SCHEMBL8766975 0.69 ADRA1B (0.44) NPC1RAB9AKMT2AL3MBTL1MEN1
SCHEMBL8766682 0.68 MEN1 (0.46) NPC1RAB9AKMT2AL3MBTL1MEN1
SCHEMBL8767631 0.67 LMNA (0.40) NPC1RAB9ATDP1
SCHEMBL2132367 0.66 L3MBTL1 (0.60) NPC1RAB9AKMT2AL3MBTL1MEN1
SCHEMBL8766870 0.65 TRPA1 (0.42)
SCHEMBL917005 0.65 L3MBTL1 (0.68) NPC1RAB9AKMT2AL3MBTL1MEN1

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
EP-0788478-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-08-13 EP claimed