SCHEMBL9707281

SCHEMBL9707281

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

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 3/20 0.64
▸ PTGS1 P23219 2/20 0.64
▸ PTGS2 P35354 2/20 0.64
▸ GSK3B P49841 4/20 0.58
▸ BACE1 P56817 4/20 0.58
▸ ALOX5AP P20292 1/20 0.57
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ MAOB P27338 3/20 0.53
▸ ABCG2 Q9UNQ0 1/20 0.52
▸ PPARG P37231 1/20 0.51
▸ PPARA Q07869 1/20 0.51
▸ SLC5A1 P13866 1/20 0.50
▸ SLC5A2 P31639 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
SCHEMBL11248132 0.84 GSK3B (0.63) ALOX5PTGS1PTGS2GSK3BBACE1
SCHEMBL9707249 0.78 ALOX5 (1.00) ALOX5PTGS1PTGS2SMN1; SMN2MAOB
SCHEMBL9344837 0.78 GSK3B (0.76) GSK3BBACE1NPC1RAB9ASMN1; SMN2
SCHEMBL9344834 0.78 GSK3B (0.76) GSK3BBACE1NPC1RAB9ASMN1; SMN2
SCHEMBL9707360 0.77 ALOX5 (0.72) ALOX5PTGS1PTGS2MAOB
SCHEMBL9877597 0.76 GSK3B (0.68) ALOX5GSK3BBACE1NPC1RAB9A
SCHEMBL10953297 0.76 GSK3B (0.63) PTGS1PTGS2GSK3BBACE1NPC1
SCHEMBL10953300 0.76 GSK3B (0.63) PTGS1PTGS2GSK3BBACE1NPC1
SCHEMBL20024692 0.75 LCK (0.77) ALOX5PTGS1PTGS2GSK3BBACE1
SCHEMBL14786203 0.75 LCK (0.77) ALOX5PTGS1PTGS2GSK3BBACE1

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
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