SCHEMBL9225874

SCHEMBL9225874

CO[C@]1(c2cc(F)cc(OCC#Cc3ccccc3)c2)CCO[C@H](C)C1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 19/20 0.54
PTGS2 P35354 8/20 0.42
PTGS1 P23219 5/20 0.42

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
SCHEMBL9225871 1.00 ALOX5 (0.54) ALOX5PTGS2PTGS1
SCHEMBL9222009 0.91 ALOX5 (0.46) ALOX5PTGS2PTGS1
SCHEMBL9393736 0.91 ALOX5 (0.46) ALOX5PTGS2PTGS1
SCHEMBL9228908 0.86 ALOX5 (0.71) ALOX5PTGS2PTGS1
SCHEMBL9210920 0.83 ALOX5 (0.52) ALOX5PTGS2PTGS1
SCHEMBL9226267 0.83 ALOX5 (0.52) ALOX5PTGS2PTGS1
SCHEMBL9226271 0.83 ALOX5 (0.52) ALOX5PTGS2PTGS1
SCHEMBL9229117 0.79 ALOX5 (0.60) ALOX5PTGS2PTGS1
SCHEMBL9197677 0.77 ALOX5 (0.37) ALOX5PTGS2PTGS1
SCHEMBL9049332 0.77 ALOX5 (0.37) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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