SCHEMBL9226271

SCHEMBL9226271

CO[C@]1(c2cc(F)cc(OCc3ccccc3)c2)CCO[C@H](C)C1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 20/20 0.52
PTGS1 P23219 3/20 0.49
PTGS2 P35354 3/20 0.49

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
SCHEMBL9210920 1.00 ALOX5 (0.52) ALOX5PTGS1PTGS2
SCHEMBL9226267 1.00 ALOX5 (0.52) ALOX5PTGS1PTGS2
SCHEMBL9221969 0.90 ALOX5 (0.51) ALOX5PTGS1PTGS2
SCHEMBL9228704 0.90 ALOX5 (0.51) ALOX5PTGS1PTGS2
SCHEMBL9227373 0.87 ALOX5 (0.58) ALOX5
SCHEMBL9225334 0.87 ALOX5 (0.40) ALOX5PTGS1PTGS2
SCHEMBL9218747 0.86 ALOX5 (0.57) ALOX5
SCHEMBL9227946 0.86 ALOX5 (0.57) ALOX5
SCHEMBL9212541 0.85 ALOX5 (0.49) ALOX5PTGS1PTGS2
SCHEMBL9212748 0.85 ALOX5 (0.49) 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 4 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
EP-0375404-A2 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-27 EP disclosed