SCHEMBL9049586

SCHEMBL9049586

CC(=O)c1ccc(Sc2ncc([C@]3(C)COC(C)(C)O3)s2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 17/20 1.00
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL9049524 1.00 ALOX5 (1.00) ALOX5HPGDLMNAL3MBTL1ALDH1A1
SCHEMBL9076214 0.87 ALOX5 (0.77) ALOX5HDAC6
SCHEMBL9076219 0.87 ALOX5 (0.77) ALOX5HDAC6
SCHEMBL9076212 0.87 ALOX5 (0.77) ALOX5HDAC6
SCHEMBL9414675 0.86 ALOX5 (1.00) ALOX5LMNAALDH1A1
SCHEMBL9414676 0.86 ALOX5 (1.00) ALOX5LMNAALDH1A1
SCHEMBL9050033 0.79 ALOX5 (0.64) ALOX5
SCHEMBL9050038 0.79 ALOX5 (0.64) ALOX5
SCHEMBL9047170 0.73 ALOX5 (0.58) ALOX5HPGDLMNAL3MBTL1ALDH1A1
SCHEMBL9047915 0.72 ALOX5 (0.57) ALOX5HPGDLMNAL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0555068-B1 Oxime derivatives as 5-lipoxygenase inhibitors ZENECA LTD (GB) 1996-04-10 EP disclosed
US-5482966-A LIPOXYGENASE ENZYME INHIBITORS AS ANTIINFLAMMATORY AGENTS ZENECA LIMITED (GB) 1996-01-09 US disclosed
US-5332757-A Enzyme inhibitors ZENECA LIMITED (GB) 1994-07-26 US disclosed
EP-0555068-A1 Oxime derivatives as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1993-08-11 EP disclosed