SCHEMBL9877287

SCHEMBL9877287

CN(O)C(=O)C=Cc1cccc(Oc2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 3/20 1.00
▸ PTGS1 P23219 2/20 1.00
▸ PTGS2 P35354 2/20 1.00
▸ ALOX5AP P20292 1/20 0.59
▸ EPOR P19235 3/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ KDM5A P29375 1/20 0.53
▸ BACE1 P56817 1/20 0.53
▸ BCHE P06276 1/20 0.51
▸ TLR4 O00206 1/20 0.50
▸ TLR2 O60603 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ LMNA P02545 1/20 0.48

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
SCHEMBL9380757 0.89 ALOX5 (0.80) ALOX5PTGS1PTGS2ALOX5APEPOR
SCHEMBL9380767 0.89 ALOX5 (0.80) ALOX5PTGS1PTGS2ALOX5APEPOR
SCHEMBL9877809 0.86 ALOX5 (0.76) ALOX5PTGS1PTGS2ALOX5APEPOR
SCHEMBL9781055 0.82 ALOX5 (0.70) ALOX5PTGS1PTGS2ALOX5APEPOR
SCHEMBL9781059 0.82 ALOX5 (0.70) ALOX5PTGS1PTGS2ALOX5APEPOR
SCHEMBL1206897 0.82 ALOX5 (0.68) ALOX5PTGS1PTGS2ALOX5APEPOR
SCHEMBL1206895 0.82 ALOX5 (0.68) ALOX5PTGS1PTGS2ALOX5APEPOR
SCHEMBL8494290 0.82 ALOX5 (0.68) ALOX5PTGS1PTGS2ALOX5APEPOR
SCHEMBL7332640 0.82 ALOX5 (0.68) ALOX5PTGS1PTGS2ALOX5APEPOR
SCHEMBL30014477 0.82 ALOX5 (0.68) ALOX5PTGS1PTGS2ALOX5APEPOR

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-A2 Aryl derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1986-10-01 — — EP claimed
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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