SCHEMBL9259587

SCHEMBL9259587

COC1(c2cccc(O)c2)CCOC1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.56
OPRD1 P41143 1/20 0.41
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
OPRM1 P35372 3/20 0.40

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
SCHEMBL1599480 0.91 ALOX5 (0.54) ALOX5OPRD1
SCHEMBL24377797 0.82 ALOX5 (0.53) ALOX5SLC6A2SLC6A4
SCHEMBL9250652 0.79 OPRM1 (0.44) ALOX5OPRD1SLC6A2SLC6A4OPRM1
SCHEMBL9219892 0.78 OPRD1 (0.41) ALOX5OPRD1SLC6A2SLC6A4OPRM1
SCHEMBL8547251 0.78 ALOX5 (0.44) ALOX5
SCHEMBL9209049 0.77 OPRM1 (0.39) ALOX5OPRD1SLC6A2SLC6A4OPRM1
SCHEMBL9226485 0.77 OPRM1 (0.39) ALOX5OPRD1SLC6A2SLC6A4OPRM1
SCHEMBL9226479 0.77 OPRM1 (0.39) ALOX5OPRD1SLC6A2SLC6A4OPRM1
SCHEMBL10435461 0.77 OPRM1 (0.39) ALOX5OPRD1SLC6A2SLC6A4OPRM1
SCHEMBL9229297 0.74 ALOX5 (0.45) 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