SCHEMBL8554998

SCHEMBL8554998

C[C@H]1C[C@@](O)(c2csc(Sc3ccc4c(c3)CN(C)C(=O)N4C)c2)CCO1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.36
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
BRD3 Q15059 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
SCHEMBL1445371 0.87 ALOX5 (0.41) ALOX5
SCHEMBL7607693 0.87 ALOX5 (0.41) ALOX5
SCHEMBL6454601 0.87 ALOX5 (0.41) ALOX5
SCHEMBL1445372 0.87 ALOX5 (0.41) ALOX5
SCHEMBL7608078 0.87 ALOX5 (0.41) ALOX5
SCHEMBL2109207 0.86 ALOX5 (0.49) ALOX5
SCHEMBL8556070 0.84 ALOX5 (0.38) ALOX5
SCHEMBL2106820 0.78 ALOX5 (0.42) ALOX5
SCHEMBL9277272 0.77 ALOX5 (0.53) ALOX5
SCHEMBL9277268 0.77 ALOX5 (0.53) 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