SCHEMBL8766975

SCHEMBL8766975

CSC(CCCN1CCC1=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
NPC1 O15118 7/20 0.43
RAB9A P51151 7/20 0.43
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL8772464 0.84 KMT2A (0.45) ADRA1BMEN1KMT2AL3MBTL1NPC1
SCHEMBL8766682 0.76 MEN1 (0.46) ADRA1BMEN1KMT2AL3MBTL1NPC1
SCHEMBL8766432 0.76 HTT (0.40) ADRA1BMEN1KMT2AL3MBTL1NPC1
SCHEMBL10875798 0.74 ADRA1B (0.61) ADRA1BMEN1KMT2AL3MBTL1NPC1
SCHEMBL7083850 0.69 PKM (0.39) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL8767658 0.69 NPC1 (0.44) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL24937825 0.66 PIK3CD (0.50) ADRA1BMEN1KMT2ANPC1RAB9A
SCHEMBL11249992 0.66 POLB (0.38) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL11513541 0.65 NPC1 (0.58) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL8767339 0.65 HTT (0.38) ADRA1BMEN1KMT2ANPC1RAB9A

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