SCHEMBL9434226

SCHEMBL9434226

CCC(OC)(c1ccc(OCc2ccc3ccccc3n2)c(OC)c1)c1nccs1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.55
PDE10A Q9Y233 4/20 0.43
CYP1A2 P05177 2/20 0.43
GPBAR1 Q8TDU6 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39

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
SCHEMBL9369201 0.79 ALOX5 (0.75) ALOX5
SCHEMBL9433034 0.78 ALOX5 (0.51) ALOX5PDE10A
SCHEMBL9433848 0.76 ALOX5 (0.50) ALOX5
SCHEMBL9670681 0.76 ALOX5 (0.48) ALOX5
SCHEMBL9374291 0.76 ALOX5 (0.70) ALOX5
SCHEMBL9597528 0.75 ALOX5 (0.69) ALOX5
SCHEMBL9372676 0.75 ALOX5 (0.75) ALOX5
SCHEMBL9373150 0.74 ALOX5 (0.52) ALOX5CYP1A2
SCHEMBL9368571 0.74 ALOX5 (0.48) ALOX5
SCHEMBL9434404 0.74 ALOX5 (0.58) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0381375-B1 HETEROCYCLIC DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-11-11 EP claimed
EP-0381375-A1 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-08-08 EP claimed
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
EP-0381375-A1 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-08-08 EP disclosed