Sugi Predict

Sugi Predict / Compounds / SCHEMBL9255281

SCHEMBL9255281

SCHEMBL9255281

COC1(c2cc(F)cc(S(=O)(=O)c3ccc(N(C)C(=O)N(C)C)cc3)c2)CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 19/20 0.41
▸ PTGS1 P23219 5/20 0.39
▸ PTGS2 P35354 2/20 0.39

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
SCHEMBL9254019 0.86 ALOX5 (0.40) ALOX5
SCHEMBL9048370 0.83 ALOX5 (0.42) ALOX5PTGS1PTGS2
SCHEMBL9253894 0.81 ALOX5 (0.40) ALOX5
SCHEMBL9254539 0.81 ALOX5 (0.57) ALOX5
SCHEMBL9077210 0.79 ALOX5 (0.39) ALOX5PTGS1PTGS2
SCHEMBL9077212 0.79 ALOX5 (0.39) ALOX5PTGS1PTGS2
SCHEMBL9077205 0.79 ALOX5 (0.39) ALOX5PTGS1PTGS2
SCHEMBL7479661 0.78 ALOX5 (0.61) ALOX5PTGS1
SCHEMBL9259112 0.78 ALOX5 (0.43) ALOX5
SCHEMBL7562493 0.75 ALOX5 (0.42) 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 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 claimed
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