SCHEMBL9440485

SCHEMBL9440485

COC1(c2cc(F)cc(Sc3ccc(Oc4ccccc4)cc3)c2)CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 19/20 0.44
PTGS2 P35354 8/20 0.44
PTGS1 P23219 5/20 0.44

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
SCHEMBL9440157 0.86 ALOX5 (0.53) ALOX5PTGS2PTGS1
SCHEMBL9047280 0.84 ALOX5 (0.46) ALOX5PTGS2PTGS1
SCHEMBL9048209 0.84 ALOX5 (0.44) ALOX5PTGS2PTGS1
SCHEMBL9218816 0.84 ALOX5 (0.44) ALOX5PTGS2PTGS1
SCHEMBL9440548 0.82 ALOX5 (0.43) ALOX5
SCHEMBL9049009 0.82 ALOX5 (0.41) ALOX5PTGS2PTGS1
SCHEMBL9568568 0.82 ALOX5 (0.43) ALOX5PTGS2PTGS1
SCHEMBL9268918 0.82 ALOX5 (0.45) ALOX5PTGS2PTGS1
SCHEMBL9303792 0.82 ALOX5 (0.43) ALOX5PTGS2PTGS1
SCHEMBL9440457 0.82 ALOX5 (0.43) 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 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