SCHEMBL9877044

SCHEMBL9877044

CN(O)C(=O)C=Cc1ccc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.61
▸ PTGS1 P23219 1/20 0.61
▸ PTGS2 P35354 1/20 0.61

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
SCHEMBL10873379 0.95 ALOX5 (0.59) ALOX5PTGS1PTGS2
SCHEMBL10362090 0.88 ALOX5 (0.52) ALOX5PTGS1PTGS2
SCHEMBL10361597 0.86 ALOX5 (0.53) ALOX5PTGS1PTGS2
SCHEMBL10362643 0.83 CYP3A4 (0.49) PTGS1
SCHEMBL7975563 0.80 PTPN1 (0.46) ALOX5PTGS1PTGS2
SCHEMBL29637954 0.80 GLA (0.60) PTGS1
SCHEMBL29931049 0.80 GLA (0.60) PTGS1
SCHEMBL2887144 0.80 GLA (0.60) PTGS1
SCHEMBL2887149 0.80 GLA (0.60) PTGS1
SCHEMBL2744149 0.79 CYP3A4 (0.61) PTGS1

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
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