SCHEMBL9252771

SCHEMBL9252771

COC1(c2ccsc2)CCOC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.41
KCNA3 P22001 2/20 0.39
BACE1 P56817 1/20 0.30
KCNH2 Q12809 1/20 0.30
HCAR3 P49019 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL9047613 0.90 KCNA3 (0.43) ALOX5KCNA3
SCHEMBL31353592 0.73 ALOX5 (0.42) ALOX5
SCHEMBL9255138 0.72 ALOX5 (0.39) ALOX5
SCHEMBL24377797 0.69 ALOX5 (0.53) ALOX5
SCHEMBL9259587 0.69 ALOX5 (0.56) ALOX5
SCHEMBL29239381 0.68 ALOX5 (0.41) ALOX5
SCHEMBL31353191 0.67 LPL (0.41) ALOX5
SCHEMBL31353301 0.67 LPL (0.41) ALOX5
SCHEMBL31353180 0.67 LPL (0.41) ALOX5
SCHEMBL26876154 0.67 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