SCHEMBL9080859

SCHEMBL9080859

CCC(O)(CC)c1cccc(OCc2ccc3ccccc3c2)c1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 13/20 0.58
F2 P00734 2/20 0.47

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
SCHEMBL9179775 0.94 ALOX5 (0.55) ALOX5F2
SCHEMBL9365198 0.92 ALOX5 (0.54) ALOX5F2
SCHEMBL9186706 0.91 ALOX5 (0.54) ALOX5
SCHEMBL9368879 0.91 ALOX5 (0.56) ALOX5F2
SCHEMBL10434689 0.90 ALOX5 (0.53) ALOX5F2
SCHEMBL9185587 0.86 ALOX5 (0.49) ALOX5
SCHEMBL9186364 0.85 ALOX5 (0.51) ALOX5
SCHEMBL9184629 0.84 ALOX5 (0.56) ALOX5
SCHEMBL9182358 0.84 ALOX5 (0.53) ALOX5F2
SCHEMBL9577501 0.84 ALOX5 (0.53) 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-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