SCHEMBL8555575

SCHEMBL8555575

CCC1CC(O)(c2cccc(Sc3ccc4c(c3)CCC(=O)N4C)c2)CCO1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.42
TRIM24 O15164 1/20 0.33
CYP11B2 P19099 7/20 0.33
CYP11B1 P15538 4/20 0.32
CYP17A1 P05093 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP19A1 P11511 1/20 0.32
TRPV1 Q8NER1 4/20 0.32
TMEM97 Q5BJF2 1/20 0.32
ADAM17 P78536 1/20 0.32

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
SCHEMBL8555580 1.00 ALOX5 (0.42) ALOX5TRIM24CYP11B2CYP11B1CYP17A1
SCHEMBL2108616 0.89 ALOX5 (0.46) ALOX5TRIM24CYP11B2CYP11B1TRPV1
SCHEMBL2107548 0.88 ALOX5 (0.43) ALOX5TRIM24CYP11B2CYP11B1CYP17A1
SCHEMBL2108821 0.81 ATAD2 (0.40) ALOX5CYP11B2CYP11B1CYP1A2
SCHEMBL2108067 0.80 CREBBP (0.36) ALOX5TRIM24
SCHEMBL9384084 0.78 ALOX5 (0.33) ALOX5
SCHEMBL9382242 0.78 ALOX5 (0.33) ALOX5
SCHEMBL9275295 0.78 ALOX5 (0.45) ALOX5TRIM24CYP11B2CYP11B1CYP17A1
SCHEMBL9271466 0.78 ALOX5 (0.45) ALOX5TRIM24CYP11B2CYP11B1CYP17A1
SCHEMBL9274972 0.78 ALOX5 (0.43) ALOX5TRIM24CYP11B2CYP11B1CYP17A1

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