SCHEMBL8552201

SCHEMBL8552201

CC1CC(O)(c2csc(Sc3ccc4c(c3)CCC(=O)N4C)c2)CC(C)O1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.52
TRIM24 O15164 2/20 0.37
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
CYP11B1 P15538 5/20 0.34
CYP11B2 P19099 5/20 0.34
CYP1A2 P05177 2/20 0.34
CYP17A1 P05093 1/20 0.34
CYP19A1 P11511 1/20 0.34
ADAM17 P78536 1/20 0.33
BRD4 O60885 1/20 0.31
CREBBP Q92793 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
SCHEMBL8554039 0.89 ALOX5 (0.51) ALOX5TRIM24PDE3BPDE3ACYP11B1
SCHEMBL2109207 0.89 ALOX5 (0.49) ALOX5TRIM24PDE3BPDE3ACYP11B1
SCHEMBL8554978 0.84 ALOX5 (0.46) ALOX5TRIM24CYP11B1CYP11B2
SCHEMBL8556621 0.80 ALOX5 (0.50) ALOX5TRIM24PDE3BPDE3ACYP11B1
SCHEMBL7608078 0.80 ALOX5 (0.41) ALOX5TRIM24CREBBP
SCHEMBL6454601 0.80 ALOX5 (0.41) ALOX5TRIM24CREBBP
SCHEMBL1445372 0.80 ALOX5 (0.41) ALOX5TRIM24CREBBP
SCHEMBL1445371 0.80 ALOX5 (0.41) ALOX5TRIM24CREBBP
SCHEMBL8555746 0.80 ALOX5 (0.54) ALOX5TRIM24CYP11B1CYP11B2CYP1A2
SCHEMBL7607693 0.80 ALOX5 (0.41) ALOX5TRIM24CREBBP

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