SCHEMBL9514631

SCHEMBL9514631

CC(C=Cc1cccc(Oc2ccc(Cl)cc2)c1)=NO

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ ALOX5 P09917 3/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ PTGS1 P23219 2/20 0.47
▸ PTGS2 P35354 2/20 0.47
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ ALOX5AP P20292 1/20 0.41
▸ P2RX3 P56373 3/20 0.41
▸ TERT O14746 1/20 0.41
▸ ADAMTS5 Q9UNA0 1/20 0.41
▸ TRPA1 O75762 1/20 0.41
▸ KDM5A P29375 1/20 0.40

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
SCHEMBL9514622 1.00 ALOX15 (0.50) ALOX15SMN1; SMN2ALOX5ALDH1A1HPGD
SCHEMBL9514620 1.00 ALOX15 (0.50) ALOX15SMN1; SMN2ALOX5ALDH1A1HPGD
SCHEMBL9781083 0.89 ALOX15 (0.65) ALOX15SMN1; SMN2ALOX5ALDH1A1PTGS1
SCHEMBL9781077 0.89 ALOX15 (0.65) ALOX15SMN1; SMN2ALOX5ALDH1A1PTGS1
SCHEMBL9781079 0.89 ALOX15 (0.65) ALOX15SMN1; SMN2ALOX5ALDH1A1PTGS1
SCHEMBL9781107 0.86 TRPA1 (0.59) ALOX15SMN1; SMN2ALOX5ALDH1A1HPGD
SCHEMBL9781100 0.86 TRPA1 (0.59) ALOX15SMN1; SMN2ALOX5ALDH1A1HPGD
SCHEMBL9514221 0.83 ALOX5 (0.56) SMN1; SMN2ALOX5ALDH1A1HPGDPTGS1
SCHEMBL9514207 0.83 ALOX5 (0.56) SMN1; SMN2ALOX5ALDH1A1HPGDPTGS1
SCHEMBL8783371 0.79 ALDH1A1 (0.57) SMN1; SMN2ALOX5ALDH1A1HPGDPTGS1

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
EP-0384594-B1 Anti-inflammatory aryl derivatives WELLCOME FOUND (GB) 1993-10-27 — — EP disclosed
EP-0299761-B1 ANTI-INFLAMMATORY ARYL DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1991-12-18 — — EP disclosed
US-4988733-A Also used in treatment of cardiovascular disorders and inflammation BURROUGHS WELLCOME CO. (US) 1991-01-29 — — US disclosed
EP-0384594-A1 Anti-inflammatory aryl derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1990-08-29 — — EP disclosed
EP-0299761-A1 Anti-inflammatory aryl derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1989-01-18 — — EP disclosed
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