SCHEMBL9215709

SCHEMBL9215709

COC1(c2cc(F)cc(OCC#Cc3ccccn3)c2)CCOCC1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 17/20 0.77
PTGS2 P35354 6/20 0.51
PTGS1 P23219 5/20 0.51
GRM5 P41594 2/20 0.50

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
SCHEMBL9213851 0.87 ALOX5 (1.00) ALOX5GRM5
SCHEMBL9228908 0.86 ALOX5 (0.71) ALOX5PTGS2PTGS1
SCHEMBL9218003 0.84 ALOX5 (0.55) ALOX5PTGS2PTGS1
SCHEMBL9209059 0.83 ALOX5 (0.56) ALOX5PTGS2PTGS1
SCHEMBL9229117 0.83 ALOX5 (0.60) ALOX5PTGS2PTGS1
SCHEMBL9224490 0.82 ALOX5 (0.56) ALOX5PTGS2PTGS1
SCHEMBL9212235 0.82 ALOX5 (0.53) ALOX5PTGS2PTGS1
SCHEMBL9226057 0.81 ALOX5 (0.52) ALOX5PTGS2PTGS1
SCHEMBL9226906 0.80 ALOX5 (0.60) ALOX5PTGS2PTGS1
SCHEMBL9229148 0.79 ALOX5 (0.56) ALOX5PTGS2PTGS1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0385662-B1 Heterocycles with inhibitory activity of 5-lipoxygenase ZENECA LTD (GB) 1995-12-13 EP claimed
EP-0385662-A2 Heterocycles with inhibitory activity of 5-lipoxygenase ZENECA LIMITED (GB) 1990-09-05 EP claimed
EP-0385662-B1 Heterocycles with inhibitory activity of 5-lipoxygenase ZENECA LTD (GB) 1995-12-13 EP disclosed
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