SCHEMBL9434404

SCHEMBL9434404

CCC(OC)(c1ccc(OCC#Cc2ccccn2)c(OC)c1)c1nccs1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 15/20 0.58
GRM5 P41594 3/20 0.43
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL9375547 0.85 ALOX5 (0.56) ALOX5
SCHEMBL9433194 0.85 ALOX5 (0.79) ALOX5GRM5
SCHEMBL9369871 0.83 ALOX5 (0.60) ALOX5
SCHEMBL9433848 0.82 ALOX5 (0.50) ALOX5L3MBTL1
SCHEMBL9434038 0.81 ALOX5 (0.62) ALOX5GRM5
SCHEMBL9433999 0.81 ALOX5 (0.62) ALOX5GRM5
SCHEMBL9597801 0.76 ALOX5 (0.71) ALOX5
SCHEMBL9373150 0.74 ALOX5 (0.52) ALOX5
SCHEMBL9368571 0.74 ALOX5 (0.48) ALOX5RAB9A
SCHEMBL9434226 0.74 ALOX5 (0.55) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5283245-A Antiinflammatory agent, antiallergens IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-02-01 US disclosed
EP-0381375-B1 HETEROCYCLIC DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-11-11 EP disclosed
US-5089495-A Lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (FR) 1992-02-18 US disclosed