SCHEMBL9440413

SCHEMBL9440413

COC1(c2cc(F)cc(Sc3ccc(Oc4ccc(F)cc4)c(Cl)c3)c2)CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 19/20 0.39
PTGS1 P23219 4/20 0.38
PTGS2 P35354 3/20 0.38

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
SCHEMBL9440485 0.81 ALOX5 (0.44) ALOX5PTGS1PTGS2
SCHEMBL9035923 0.81 ALOX5 (0.41) ALOX5PTGS1PTGS2
SCHEMBL9038451 0.80 ALOX5 (0.43) ALOX5PTGS1PTGS2
SCHEMBL9440457 0.79 ALOX5 (0.43) ALOX5PTGS1PTGS2
SCHEMBL9440584 0.78 ALOX5 (0.48) ALOX5PTGS1PTGS2
SCHEMBL9050327 0.78 ALOX5 (0.41) ALOX5PTGS1PTGS2
SCHEMBL9046867 0.77 ALOX5 (0.39) ALOX5PTGS1PTGS2
SCHEMBL9048209 0.77 ALOX5 (0.44) ALOX5PTGS1PTGS2
SCHEMBL9218816 0.77 ALOX5 (0.44) ALOX5PTGS1PTGS2
SCHEMBL9038104 0.76 ALOX5 (0.51) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5225438-A Lipoxygenase inhibitors for antiinflammatory agents or antiallergens IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-06 US claimed
EP-0488602-A1 Aryl derivatives ZENECA LIMITED (GB) 1992-06-03 EP claimed
US-5276037-A Antiinflammatory agents, antiallergens IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-04 US disclosed
US-5272173-A 5-lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-21 US disclosed
US-5225438-A Lipoxygenase inhibitors for antiinflammatory agents or antiallergens IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-06 US disclosed
EP-0488602-A1 Aryl derivatives ZENECA LIMITED (GB) 1992-06-03 EP disclosed