SCHEMBL9080279

SCHEMBL9080279

CCC(C#N)(CC)c1cccc(OCc2ccc3c(ccc(=O)n3C)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 19/20 0.55
CYP2D6 P10635 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL9080239 0.93 ALOX5 (0.51) ALOX5CYP2D6HRH3
SCHEMBL9080166 0.93 ALOX5 (0.51) ALOX5CYP2D6HRH3
SCHEMBL9080837 0.90 ALOX5 (0.52) ALOX5CYP2D6HRH3
SCHEMBL9080659 0.89 ALOX5 (0.53) ALOX5CYP2D6HRH3
SCHEMBL9080789 0.85 ALOX5 (0.49) ALOX5CYP2D6HRH3
SCHEMBL9081529 0.83 ALOX5 (0.58) ALOX5CYP2D6HRH3
SCHEMBL9080782 0.83 ALOX5 (0.53) ALOX5
SCHEMBL9326000 0.80 ALOX5 (0.59) ALOX5CYP2D6HRH3
SCHEMBL9136256 0.80 ALOX5 (0.57) ALOX5CYP2D6HRH3
SCHEMBL9325979 0.80 ALOX5 (0.58) ALOX5CYP2D6HRH3

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
US-5519022-A α, α dialkylbenzyl derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-05-21 US claimed
US-5288742-A Lipoxygenase inhibitor IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-02-22 US claimed
EP-0505122-A1 Alpha, alpha-dialkylbenzyl derivatives ZENECA LIMITED (GB) 1992-09-23 EP claimed
US-5519022-A α, α dialkylbenzyl derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-05-21 US disclosed
US-5288742-A Lipoxygenase inhibitor IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-02-22 US disclosed
EP-0505122-A1 Alpha, alpha-dialkylbenzyl derivatives ZENECA LIMITED (GB) 1992-09-23 EP disclosed