SCHEMBL9877023

SCHEMBL9877023

CN(O)C(=O)c1ccc(OCc2ccccc2)cc1O

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.70
ALOX5 P09917 3/20 0.58
TSHR P16473 2/20 0.56
MAOA P21397 6/20 0.52
APP P05067 1/20 0.52
MCL1 Q07820 1/20 0.51
LTB4R Q15722 1/20 0.51
LTB4R2 Q9NPC1 1/20 0.51
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50

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
SCHEMBL9877037 0.90 MAOB (0.60) MAOBALOX5MAOAMCL1LTB4R
SCHEMBL7907726 0.90 MAOB (0.72) MAOBALOX5TSHRMAOAAPP
SCHEMBL567416 0.82 MAOB (1.00) MAOBMAOA
SCHEMBL29945833 0.82 MAOB (1.00) MAOBMAOA
SCHEMBL1519064 0.82 MAOB (0.77) MAOBMAOAAPPMCL1PTGS1
SCHEMBL7796801 0.82 MAOB (0.77) MAOBALOX5MAOAAPPMCL1
SCHEMBL629952 0.80 MAOB (0.74) MAOBTSHRMAOAAPPMCL1
SCHEMBL9748049 0.80 MAOB (0.74) MAOBMAOAAPPMCL1PTGS1
SCHEMBL9877598 0.80 ALOX5 (0.68) MAOBALOX5PTGS1PTGS2
SCHEMBL7907691 0.80 MAOB (0.73) MAOBMAOAAPPMCL1PTGS1

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