Sugi Predict

Sugi Predict / Compounds / SCHEMBL9258570

SCHEMBL9258570

SCHEMBL9258570

COC1(c2cc(F)cc(SCc3ccc(CN4CCNC4=O)cc3)c2)CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 18/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ PTGS1 P23219 1/20 0.36

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
SCHEMBL9251255 0.83 ALOX5 (0.63) ALOX5PTGS1
SCHEMBL9367698 0.80 ALOX5 (0.47) ALOX5PTGS1
SCHEMBL9259112 0.76 ALOX5 (0.43) ALOX5
SCHEMBL9250218 0.75 ALOX5 (0.42) ALOX5
SCHEMBL9256411 0.73 ALOX5 (0.61) ALOX5
SCHEMBL9038104 0.71 ALOX5 (0.51) ALOX5PTGS1
SCHEMBL9254294 0.70 ALOX5 (0.41) ALOX5
SCHEMBL9036795 0.69 ALOX5 (0.48) ALOX5PTGS1
SCHEMBL9440584 0.69 ALOX5 (0.48) ALOX5PTGS1
SCHEMBL9047329 0.69 ALOX5 (0.46) 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