SCHEMBL9707675

SCHEMBL9707675

CC(C)C(=O)N(O)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.72
PTGS1 P23219 1/20 0.72
PTGS2 P35354 1/20 0.72
L3MBTL1 Q9Y468 1/20 0.59
MAOB P27338 2/20 0.54

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
SCHEMBL17774456 0.85 ALOX5 (0.60) ALOX5PTGS1PTGS2
SCHEMBL9707249 0.84 ALOX5 (1.00) ALOX5PTGS1PTGS2L3MBTL1MAOB
SCHEMBL9474556 0.81 ALOX5 (0.74) ALOX5PTGS1PTGS2L3MBTL1
SCHEMBL9474361 0.81 ALOX5 (0.72) ALOX5PTGS1PTGS2L3MBTL1MAOB
SCHEMBL9707377 0.81 ALOX5 (0.72) ALOX5PTGS1PTGS2L3MBTL1MAOB
SCHEMBL10689449 0.80 ALOX5 (1.00) ALOX5PTGS1PTGS2L3MBTL1
SCHEMBL10262793 0.78 LTA4H (0.62) ALOX5PTGS1PTGS2L3MBTL1MAOB
SCHEMBL4924177 0.78 MAOB (0.68) ALOX5PTGS1PTGS2L3MBTL1MAOB
SCHEMBL9707452 0.78 ALOX5 (0.86) ALOX5PTGS1PTGS2L3MBTL1MAOB
SCHEMBL10457535 0.76 ALOX5 (0.82) ALOX5PTGS1PTGS2L3MBTL1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0196184-B1 ARYL DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1992-09-16 EP disclosed
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