SCHEMBL7956293

SCHEMBL7956293

Cc1ccc2c(-c3ccc(C4(C)OC(=O)C(O)=C4O)cc3)cccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.39
MAOB P27338 8/20 0.37
MAOA P21397 3/20 0.37
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB4 P30926 1/20 0.36
SLC6A4 P31645 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CHRND Q07001 1/20 0.36
CYP1A2 P05177 1/20 0.36
ADORA3 P0DMS8 2/20 0.34
MCL1 Q07820 1/20 0.34
ACMSD Q8TDX5 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
CA12 O43570 2/20 0.33

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
SCHEMBL7968952 0.87 KDM4E (0.38) MAOBMAOACHRNA1CHRNGCHRNB1
SCHEMBL7956291 0.82 PTGER3 (0.40) MAOBMAOACHRNA1CHRNGCHRNB1
SCHEMBL6026165 0.82 HSD17B1 (0.38) MAOBMAOAADORA3CA9HCAR2
SCHEMBL7956082 0.76 DHFR (0.37) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL27430792 0.73 CYP1A2 (0.59) TLR8MAOBMAOACYP1A2ADORA3
SCHEMBL7983353 0.72 CHRNA1 (0.42) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL6026481 0.72 MCL1 (0.41) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL6028062 0.71 CYP3A4 (0.41) LMNA
SCHEMBL7965561 0.71 PTGS2 (0.43) NPSR1
SCHEMBL7972384 0.70 KDM4E (0.35) MAOBMAOACYP1A2MCL1ACMSD

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
US-6265436-B1 ANTIINFLAMMATORY AGENTS OXIS THERAPEUTICS INC. 2001-07-24 US disclosed