SCHEMBL8552669

SCHEMBL8552669

CC1CC(O)(c2cnc(Sc3ccc4c(c3)CCC(=O)N4C)s2)CC(C)O1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.54
CYP11B2 P19099 9/20 0.36
CYP11B1 P15538 8/20 0.36
CYP1A2 P05177 2/20 0.36
CYP17A1 P05093 1/20 0.36
CYP19A1 P11511 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
TRIM24 O15164 1/20 0.35
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33

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 0.89 ALOX5 (0.51) ALOX5CYP11B2CYP11B1CYP1A2CYP17A1
SCHEMBL9127952 0.87 ALOX5 (0.54) ALOX5CYP11B2CYP11B1CYP1A2CYP17A1
SCHEMBL2108607 0.81 ALOX5 (0.44) ALOX5TRIM24
SCHEMBL8557163 0.81 ALOX5 (0.56) ALOX5CYP11B2CYP11B1CYP1A2CYP17A1
SCHEMBL9125544 0.79 ALOX5 (0.57) ALOX5CYP11B2CYP11B1CYP1A2CYP17A1
SCHEMBL8552201 0.79 ALOX5 (0.52) ALOX5CYP11B2CYP11B1CYP1A2CYP17A1
SCHEMBL8554091 0.79 ALOX5 (0.40) ALOX5
SCHEMBL9126763 0.76 ALOX5 (0.70) ALOX5CYP11B2CYP11B1CYP1A2CYP17A1
SCHEMBL9435738 0.75 ALOX5 (0.42) ALOX5CYP11B2CYP11B1
SCHEMBL4603569 0.75 ALOX5 (0.42) ALOX5CYP11B2CYP11B1

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 7 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
US-5478843-A Administering as inhibitors of the enzyme 5-lipoxygenase ZENECA LIMITED (GB) 1995-12-26 US 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
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