SCHEMBL5209449

SCHEMBL5209449

CC(=O)On1cnc(-c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.43
ADORA3 P0DMS8 3/20 0.41
ADORA1 P30542 3/20 0.41
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 1/20 0.40
LDHA P00338 2/20 0.40
NLRP3 Q96P20 1/20 0.40
KMO O15229 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA2A P29274 1/20 0.38
POLB P06746 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 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
SCHEMBL27582587 0.83 FAAH (0.43) FAAHADORA3ADORA1ALDH1A1NPC1
SCHEMBL29123709 0.83 FAAH (0.42) FAAHADORA1ALDH1A1NPC1RAB9A
SCHEMBL6028454 0.80 ALDH1A1 (0.45) FAAHADORA3ADORA1ALDH1A1NPC1
SCHEMBL27577380 0.77 RAB9A (0.47) ADORA1ALDH1A1NPC1RAB9AHPGD
SCHEMBL10645106 0.75 FAAH (0.56) FAAHADORA3ADORA1ALDH1A1NPC1
SCHEMBL27831341 0.74 RECQL (0.42) FAAHADORA3ADORA1ALDH1A1NPC1
SCHEMBL21929949 0.73 MAPK1 (0.48) ALDH1A1RAB9ASMN1; SMN2GAAPOLB
SCHEMBL28630919 0.72 ALDH1A1 (0.36) ALDH1A1GAA
SCHEMBL28402434 0.71 OGT (0.46) NPC1RAB9A
SCHEMBL11552222 0.70 BACE1 (0.42) ADORA3ADORA1ALDH1A1NPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 EP disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 WO disclosed