SCHEMBL9254867

SCHEMBL9254867

COC1(c2cc(OCc3ccccc3)cc(C(F)(F)F)c2)CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 18/20 0.54
PTGS2 P35354 3/20 0.48
PTGS1 P23219 2/20 0.48

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
SCHEMBL9227928 0.89 ALOX5 (0.54) ALOX5PTGS2PTGS1
SCHEMBL9227636 0.88 ALOX5 (0.63) ALOX5PTGS2PTGS1
SCHEMBL9225334 0.86 ALOX5 (0.40) ALOX5PTGS2PTGS1
SCHEMBL9029002 0.85 ALOX5 (0.70) ALOX5PTGS2PTGS1
SCHEMBL9224526 0.85 ALOX5 (0.47) ALOX5
SCHEMBL9220235 0.83 ALOX5 (0.61) ALOX5
SCHEMBL9222711 0.82 ALOX5 (0.67) ALOX5PTGS2PTGS1
SCHEMBL19615806 0.80 ALOX5 (0.75) ALOX5
SCHEMBL8550340 0.79 ALOX5 (0.61) ALOX5PTGS2PTGS1
SCHEMBL9209772 0.78 ALOX5 (0.79) 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