SCHEMBL8554091

SCHEMBL8554091

C[C@H]1C[C@@](O)(c2cnc(Sc3ccc4c(c3)CCC(=S)N4C)s2)CCO1

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 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
SCHEMBL2108142 0.90 ALOX5 (0.51) ALOX5
SCHEMBL2108607 0.85 ALOX5 (0.44) ALOX5
SCHEMBL8556070 0.80 ALOX5 (0.38) ALOX5
SCHEMBL8552669 0.79 ALOX5 (0.54) ALOX5
SCHEMBL9125544 0.76 ALOX5 (0.57) ALOX5
SCHEMBL2109199 0.76 ALOX5 (0.42) ALOX5
SCHEMBL9435738 0.76 ALOX5 (0.42) ALOX5
SCHEMBL4603569 0.76 ALOX5 (0.42) ALOX5
SCHEMBL9435741 0.76 ALOX5 (0.42) ALOX5
SCHEMBL9045905 0.75 ALOX5 (0.41) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623614-B1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LTD (GB) 1998-02-25 EP disclosed
US-5512594-A ADMINISTERING TO TREAT A MEDICAL CONDITION MEDIATED BY ONE OR MORE LEUKOTRIENES ZENECA LIMITED (GB) 1996-04-30 US disclosed
US-5478842-A Antiinflammatory agents, antiallergens, drugs for treatment of diseases mediated by leukotrienes ZENECA LIMITED (GB) 1995-12-26 US disclosed
WO-1994025453-A1 4-ARYL-4-HYDROXY-TETRAHYDROPYRANS AND 3-ARYL-3-HYDROXY-TETRAHYDROFURANS AS 5-LIPOXYGENASE INHIBITORS ZENECA LIMITED (GB) 1994-11-10 WO disclosed
EP-0623614-A1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1994-11-09 EP disclosed