SCHEMBL9252498

SCHEMBL9252498

Cn1c(=O)ccc2cc(COc3cc(C(F)(F)F)cc(C4(O)CCOCC4)c3)ccc21

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 20/20 0.79

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
SCHEMBL9209772 0.90 ALOX5 (0.79) ALOX5
SCHEMBL9256165 0.88 ALOX5 (1.00) ALOX5
SCHEMBL9212533 0.86 ALOX5 (0.64) ALOX5
SCHEMBL9209013 0.85 ALOX5 (0.81) ALOX5
SCHEMBL9223136 0.82 ALOX5 (0.54) ALOX5
SCHEMBL9227643 0.80 ALOX5 (0.57) ALOX5
Zd-2138 SCHEMBL1083603 0.78 ALOX5 (1.00) ALOX5
SCHEMBL9135113 0.78 ALOX5 (0.80) ALOX5
Zd-2138 SCHEMBL29372755 0.78 ALOX5 (1.00) ALOX5
SCHEMBL9139351 0.77 ALOX5 (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5401751-A Enzyme inhibitors for 5-lipoxygenase ZENECA LIMITED (GB) 1995-03-28 US disclosed
US-5236919-A Inhibitorsof enzyme 5-lipoxygenase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-17 US disclosed
US-5134148-A Heterocycles for use as inhibitors of leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-28 US disclosed
EP-0385662-A2 Heterocycles with inhibitory activity of 5-lipoxygenase ZENECA LIMITED (GB) 1990-09-05 EP disclosed