SCHEMBL10362090

SCHEMBL10362090

CN(O)C(=O)C=Cc1ccc2c(ccc3ccccc32)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.52
▸ PTGS1 P23219 1/20 0.52
▸ PTGS2 P35354 1/20 0.52

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
SCHEMBL10361597 0.93 ALOX5 (0.53) ALOX5PTGS1PTGS2
SCHEMBL9877044 0.88 ALOX5 (0.61) ALOX5PTGS1PTGS2
SCHEMBL10873379 0.87 ALOX5 (0.59) ALOX5PTGS1PTGS2
SCHEMBL11816511 0.80 HDAC3 (0.53) ALOX5
SCHEMBL11816512 0.80 HDAC3 (0.53) ALOX5
SCHEMBL10361683 0.79 MAOB (0.56) ALOX5PTGS1PTGS2
SCHEMBL9877248 0.76 HDAC8 (0.58) —
SCHEMBL19839341 0.75 HDAC3 (0.43) —
SCHEMBL11817850 0.75 TTR (0.58) ALOX5PTGS2
SCHEMBL11817862 0.75 TTR (0.58) ALOX5PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0199151-B1 LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-11-07 — — EP disclosed
US-4623661-A HYDROXAMIC ACID DERIVATIVES ABBOTT LABORATORIES (US) 1986-11-18 — — US disclosed
EP-0199151-A2 Lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1986-10-29 — — EP disclosed
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