SCHEMBL8553346

SCHEMBL8553346

CC(=O)O[C@]1(c2cccc(Sc3ccc4c(c3)CCC(=O)N4C)c2)CCO[C@@H](C)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.46
TRIM24 O15164 1/20 0.33
CYP11B2 P19099 6/20 0.32
CYP11B1 P15538 4/20 0.32
CYP1A2 P05177 2/20 0.32
CYP17A1 P05093 1/20 0.32
CYP19A1 P11511 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
ADAM17 P78536 1/20 0.31
TRPV1 Q8NER1 2/20 0.30
SYK P43405 1/20 0.30
TYRO3 Q06418 1/20 0.30

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
SCHEMBL9100200 0.91 ALOX5 (0.54) ALOX5TRIM24CYP11B2CYP11B1CYP1A2
SCHEMBL2107548 0.85 ALOX5 (0.43) ALOX5TRIM24CYP11B2CYP11B1CYP1A2
SCHEMBL9271466 0.83 ALOX5 (0.45) ALOX5TRIM24CYP11B2CYP11B1CYP1A2
SCHEMBL9275295 0.83 ALOX5 (0.45) ALOX5TRIM24CYP11B2CYP11B1CYP1A2
SCHEMBL9274972 0.83 ALOX5 (0.43) ALOX5TRIM24CYP11B2CYP11B1CYP1A2
SCHEMBL9280772 0.80 ALOX5 (0.58) ALOX5TRIM24CYP11B2CYP11B1CYP1A2
SCHEMBL9280770 0.80 ALOX5 (0.58) ALOX5TRIM24CYP11B2CYP11B1CYP1A2
SCHEMBL9100476 0.80 ALOX5 (0.58) ALOX5TRIM24CYP11B2CYP11B1CYP1A2
SCHEMBL9280765 0.80 ALOX5 (0.58) ALOX5TRIM24CYP11B2CYP11B1CYP1A2
SCHEMBL2108067 0.77 CREBBP (0.36) ALOX5TRIM24

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