SCHEMBL9050480

SCHEMBL9050480

COC1(c2ncc(Sc3ccc(C(C)=O)cc3)s2)CCOC1C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.38
HPGD P15428 2/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ITK Q08881 6/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
NTRK1 P04629 1/20 0.31

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
SCHEMBL9076775 0.88 ALOX5 (0.32) ALOX5
SCHEMBL9076779 0.88 ALOX5 (0.32) ALOX5
SCHEMBL9075901 0.83 ITK (0.33) ITKNTRK1
SCHEMBL9047915 0.82 ALOX5 (0.57) ALOX5HPGDLMNAL3MBTL1ALDH1A1
SCHEMBL9045913 0.80 ALOX5 (0.53) ALOX5HPGDLMNAL3MBTL1ALDH1A1
SCHEMBL9050650 0.80 ALOX5 (0.53) ALOX5HPGDLMNAL3MBTL1ALDH1A1
SCHEMBL9050252 0.79 ALOX5 (0.41) ALOX5HPGDLMNAL3MBTL1ITK
SCHEMBL9076868 0.78 ITK (0.32) ITKNTRK1
SCHEMBL9076782 0.74
SCHEMBL9049631 0.73 HPGD (0.39) 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