SCHEMBL9229148

SCHEMBL9229148

COC1(c2cc(F)cc(OCC#Cc3cc(Cl)cc(Cl)c3)c2)CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 19/20 0.56
PTGS1 P23219 3/20 0.47
PTGS2 P35354 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
SCHEMBL9229117 0.87 ALOX5 (0.60) ALOX5PTGS1PTGS2
SCHEMBL9228908 0.86 ALOX5 (0.71) ALOX5PTGS1PTGS2
SCHEMBL9224490 0.83 ALOX5 (0.56) ALOX5PTGS1PTGS2
SCHEMBL9226906 0.82 ALOX5 (0.60) ALOX5PTGS1PTGS2
SCHEMBL9209059 0.81 ALOX5 (0.56) ALOX5PTGS1PTGS2
SCHEMBL9218003 0.81 ALOX5 (0.55) ALOX5PTGS1PTGS2
SCHEMBL9210578 0.80 ALOX5 (0.57) ALOX5PTGS1PTGS2
SCHEMBL9215709 0.79 ALOX5 (0.77) ALOX5PTGS1PTGS2
SCHEMBL9226057 0.77 ALOX5 (0.52) ALOX5PTGS1PTGS2
SCHEMBL9228832 0.77 ALOX5 (0.54) ALOX5PTGS1PTGS2

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-0375404-B1 Heterocyclic derivatives ICI PLC (GB) 1994-02-09 EP claimed
EP-0375404-A2 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-27 EP claimed
US-5403859-A PHENYLENE-CYCLIC ETHER COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-04-04 US disclosed
EP-0375404-B1 Heterocyclic derivatives ICI PLC (GB) 1994-02-09 EP disclosed
US-5234950-A Antiallergens, antiinflammatory agents; cardiovascular disorders, antiarthritic IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-10 US disclosed
US-5098930-A Inhibitors of lipoxygenase for treatment of diseases mediated with leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-24 US disclosed
EP-0375404-A2 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-27 EP disclosed