SCHEMBL9253013

SCHEMBL9253013

COC1(c2cc(F)cc(OCc3ccc(CBr)cc3)c2)CCOCC1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 20/20 0.70
PTGS1 P23219 2/20 0.54
PTGS2 P35354 2/20 0.54

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
SCHEMBL9037639 0.89 ALOX5 (0.74) ALOX5PTGS1PTGS2
SCHEMBL9035232 0.89 ALOX5 (0.70) ALOX5PTGS1PTGS2
SCHEMBL9029002 0.88 ALOX5 (0.70) ALOX5PTGS1PTGS2
SCHEMBL9224252 0.87 ALOX5 (0.68) ALOX5PTGS1PTGS2
SCHEMBL9229310 0.86 ALOX5 (0.67) ALOX5PTGS1PTGS2
SCHEMBL9046607 0.85 ALOX5 (0.68) ALOX5
SCHEMBL6025633 0.85 ALOX5 (0.66) ALOX5PTGS1PTGS2
SCHEMBL9269047 0.85 ALOX5 (0.66) ALOX5PTGS1PTGS2
SCHEMBL9229549 0.85 ALOX5 (0.66) ALOX5PTGS1PTGS2
SCHEMBL9228198 0.84 ALOX5 (0.74) ALOX5

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-5432194-A Antiallergens, antinflammatory agents ABBOTT LABORATORIES (US) 1995-07-11 US disclosed
WO-1994026264-A1 (4-ALKOXYPYRAN-4-YL) SUBSTITUTED ARYLALKYLARYL-, ARYLALKENYLARYL-, AND ARYLALKYNYLARYLUREA INHIBITORS OF 5-LIPOXYGENASE ABBOTT LABORATORIES (US) 1994-11-24 WO disclosed
US-5346914-A Antiallergens, antiinflammatory agents ABBOTT LABORATORIES (US) 1994-09-13 US disclosed