SCHEMBL9876933

SCHEMBL9876933

CN(O)C(=O)c1ccccc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 7/20 0.57
SGMS2 Q8NHU3 3/20 0.56
NPC1 O15118 1/20 0.54
HTT P42858 1/20 0.54
ALOX5 P09917 1/20 0.52
GAA P10253 1/20 0.52
PTGER1 P34995 1/20 0.51
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 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
SCHEMBL12726937 0.89 TRPM8 (0.58) TRPM8SGMS2NPC1HTTGAA
SCHEMBL7866995 0.87 SGMS2 (0.59) TRPM8SGMS2NPC1HTTGAA
SCHEMBL8775174 0.85 KMT2A (0.61) TRPM8SGMS2NPC1HTTGAA
SCHEMBL2290346 0.85 TRPM8 (0.55) TRPM8SGMS2NPC1HTTGAA
SCHEMBL112903 0.83 SGMS2 (0.66) SGMS2NPC1HTTGAAPTGER1
SCHEMBL29433417 0.83 SGMS2 (0.66) SGMS2NPC1HTTGAAPTGER1
Bicarbonate SCHEMBL236872 0.82 SGMS2 (0.64) SGMS2NPC1HTTGAAPTGER1
Bicarbonate SCHEMBL21753662 0.82 SGMS2 (0.64) SGMS2NPC1HTTGAAPTGER1
Bicarbonate SCHEMBL29914194 0.82 SGMS2 (0.64) SGMS2NPC1HTTGAAPTGER1
Hydrochloric Acid SCHEMBL8998291 0.82 SGMS2 (0.64) SGMS2NPC1HTTGAAPTGER1

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