SCHEMBL9877598

SCHEMBL9877598

CN(O)C(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.68
MAOB P27338 1/20 0.67
NR4A1 P22736 1/20 0.66
NR4A2 P43354 1/20 0.66
NR4A3 Q92570 1/20 0.66
EGFR P00533 4/20 0.63
PARP10 Q53GL7 1/20 0.62
SRD5A2 P31213 1/20 0.60
PTGS1 P23219 1/20 0.58
PTGS2 P35354 1/20 0.58

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
SCHEMBL9877432 0.91 ALOX5 (0.62) ALOX5MAOBNR4A1NR4A2NR4A3
SCHEMBL8200793 0.89 MAOB (0.69) ALOX5MAOBNR4A1NR4A2NR4A3
SCHEMBL31326509 0.86 MAOB (0.65) ALOX5MAOBNR4A1NR4A2NR4A3
SCHEMBL1034311 0.85 MAOB (0.63) ALOX5MAOBNR4A1NR4A2NR4A3
SCHEMBL10412775 0.84 PKM (0.64) PARP10
SCHEMBL10466517 0.84 MAOB (0.69) ALOX5MAOBNR4A1NR4A2NR4A3
SCHEMBL9508209 0.84 FFAR1 (0.58) ALOX5
SCHEMBL6703917 0.81 NR4A2 (0.70) ALOX5MAOBNR4A1NR4A2NR4A3
SCHEMBL11877158 0.81 NR4A1 (0.66) ALOX5MAOBNR4A1NR4A2NR4A3
SCHEMBL2755055 0.81 ALOX5 (1.00) ALOX5MAOBPTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5036157-A Hydroxamic acid derivatives, lipoxygenase and cyclooxygenase inhibitors, anticoagulants, antiinflammatory agents BURROUGHS WELLCOME CO. 1991-07-30 US disclosed
US-4977188-A Hydroamic acid derivatives BURROUGHS WELLCOME CO. (US) 1990-12-11 US disclosed
WO-1990001929-A1 NEW MEDICAL USE THE WELLCOME FOUNDATION LIMITED (GB) 1990-03-08 WO disclosed
US-4738986-A CYCLOOXYGENASE, LIDOXYGENASE INHIBITORS BURROUGHS WELLCOME CO. (US) 1988-04-19 US disclosed
EP-0196184-A2 Aryl derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1986-10-01 EP disclosed