SCHEMBL8554746

SCHEMBL8554746

COC1(c2ccc(Sc3ccc4c(c3)CCC(=O)N4C)s2)CCOCC1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.73
CYP11B2 P19099 7/20 0.39
TRIM24 O15164 2/20 0.36
CYP11B1 P15538 4/20 0.36
CYP1A2 P05177 2/20 0.36
CYP17A1 P05093 1/20 0.33
CYP19A1 P11511 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL9086220 0.88 ALOX5 (0.58) ALOX5
SCHEMBL9088351 0.85 ALOX5 (0.72) ALOX5CYP11B2TRIM24CYP11B1CYP1A2
SCHEMBL9083889 0.85 ALOX5 (0.63) ALOX5CYP11B2CYP11B1PDE3BPDE3A
SCHEMBL9088453 0.84 ALOX5 (0.65) ALOX5CYP11B2TRIM24CYP11B1CYP1A2
SCHEMBL9126763 0.84 ALOX5 (0.70) ALOX5CYP11B2TRIM24CYP11B1CYP1A2
SCHEMBL9208296 0.80 ALOX5 (0.48) ALOX5CYP11B2
SCHEMBL9099705 0.79 ALOX5 (0.71) ALOX5CYP11B2
SCHEMBL9232172 0.78 ALOX5 (0.68) ALOX5CYP11B2TRIM24CYP11B1CYP1A2
SCHEMBL9098375 0.78 ALOX5 (0.68) ALOX5CYP11B2TRIM24CYP11B1CYP1A2
SCHEMBL9084328 0.77 ALOX5 (0.52) 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0462812-B1 Pyran derivatives as inhibitors of 5-lipoxygenase ZENECA LTD (GB) 1995-12-06 EP claimed
US-5217978-A Lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-08 US claimed
EP-0485111-A2 The use of lipoxygenase and cyclooxygenase inhibitors as synergistic agents ZENECA LIMITED (GB) 1992-05-13 EP claimed
EP-0462812-A2 Pyran derivatives as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1991-12-27 EP claimed
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-5484805-A LIPOXYGENASE INHIBITORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-01-16 US disclosed
US-5478842-A Antiinflammatory agents, antiallergens, drugs for treatment of diseases mediated by leukotrienes ZENECA LIMITED (GB) 1995-12-26 US disclosed
US-5478843-A Administering as inhibitors of the enzyme 5-lipoxygenase ZENECA LIMITED (GB) 1995-12-26 US disclosed
EP-0462812-B1 Pyran derivatives as inhibitors of 5-lipoxygenase ZENECA LTD (GB) 1995-12-06 EP disclosed
WO-1995004055-A1 THIAZOLE DERIVATIVES AS LIPOXYGENASE INHIBITORS ZENECA LIMITED (GB) 1995-02-09 WO disclosed
EP-0636624-A1 Thiazole derivatives as lipoxygenase inhibitors ZENECA LIMITED (GB) 1995-02-01 EP 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
US-5359063-A Lipoxygenase inhibitor IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-10-25 US disclosed
US-5217978-A Lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-08 US disclosed
EP-0485111-A2 The use of lipoxygenase and cyclooxygenase inhibitors as synergistic agents ZENECA LIMITED (GB) 1992-05-13 EP disclosed
EP-0462812-A2 Pyran derivatives as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1991-12-27 EP disclosed