SCHEMBL9074775

SCHEMBL9074775

COC1(c2ncc(Sc3ccc(C(C)=NO)cc3)s2)CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.35
MET P08581 3/20 0.33
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ITK Q08881 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
SCHEMBL9074766 1.00 ALOX5 (0.35) ALOX5METPDE3BPDE3ALMNA
SCHEMBL9074771 1.00 ALOX5 (0.35) ALOX5METPDE3BPDE3ALMNA
SCHEMBL9050252 0.87 ALOX5 (0.41) ALOX5LMNAMAPTITK
SCHEMBL9051562 0.87 ALOX5 (0.38) ALOX5METPDE3BPDE3AITK
SCHEMBL9074084 0.81 ALOX5 (0.44) ALOX5METPDE3BPDE3ALMNA
SCHEMBL9074083 0.81 ALOX5 (0.44) ALOX5METPDE3BPDE3ALMNA
SCHEMBL9074081 0.81 ALOX5 (0.44) ALOX5METPDE3BPDE3ALMNA
SCHEMBL9050041 0.81 ALOX5 (0.36) ALOX5
SCHEMBL9075763 0.80 ALOX5 (0.34) ALOX5
SCHEMBL9076775 0.80 ALOX5 (0.32) ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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