SCHEMBL9877037

SCHEMBL9877037

CN(O)C(=O)c1cc(OCc2ccccc2)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.60
ALOX5 P09917 3/20 0.57
MCL1 Q07820 1/20 0.56
MAOA P21397 2/20 0.53
PTGES O14684 1/20 0.52
EGFR P00533 2/20 0.50
PTGS1 P23219 2/20 0.49
PTGS2 P35354 2/20 0.49
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
SLC6A2 P23975 1/20 0.47
CYP2C19 P33261 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47

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
SCHEMBL9877023 0.90 MAOB (0.70) MAOBALOX5MCL1MAOAPTGS1
SCHEMBL560607 0.83 MAOB (0.81) MAOBMCL1MAOAPTGESPTGS1
SCHEMBL343794 0.83 MCL1 (0.78) MAOBMCL1MAOAPTGESPTGS1
SCHEMBL27852320 0.81 MAOB (0.63) MAOBMCL1MAOAPTGESPTGS1
SCHEMBL7907726 0.81 MAOB (0.72) MAOBALOX5MCL1MAOAPTGS1
SCHEMBL710202 0.81 MAOB (0.63) MAOBMCL1MAOAPTGESEGFR
SCHEMBL29717105 0.81 MAOB (0.63) MAOBMCL1MAOAPTGESEGFR
SCHEMBL9748469 0.80 FFAR1 (0.58) MAOBMCL1MAOAPTGES
SCHEMBL7947250 0.79 TDP1 (0.65) MAOBMCL1MAOAPTGESEGFR
SCHEMBL9877598 0.79 ALOX5 (0.68) MAOBALOX5EGFRPTGS1PTGS2

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