SCHEMBL8553331

SCHEMBL8553331

CCN1C(=O)CCc2cc(S)ccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.68
CYP1A2 P05177 1/20 0.54
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
HDAC1 Q13547 5/20 0.41
HDAC8 Q9BY41 5/20 0.41
HDAC6 Q9UBN7 5/20 0.41
BRD4 O60885 1/20 0.41
POLB P06746 3/20 0.40
CHRM1 P11229 4/20 0.39
CHRM2 P08172 3/20 0.39
CHRM4 P08173 3/20 0.39
CHRM5 P08912 3/20 0.39
DRD2 P14416 3/20 0.39
CHRM3 P20309 3/20 0.39
DRD4 P21917 3/20 0.39
DRD3 P35462 3/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MET P08581 1/20 0.36

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
SCHEMBL435242 0.82 ATAD2 (0.69) ATAD2CYP1A2CYP11B1CYP11B2HDAC1
SCHEMBL5534846 0.81 ATAD2 (0.68) ATAD2CYP1A2CYP11B1CYP11B2HDAC1
SCHEMBL1119384 0.81 ATAD2 (0.68) ATAD2CYP1A2CYP11B1CYP11B2HDAC1
SCHEMBL8138675 0.81 ATAD2 (1.00) ATAD2CYP1A2CYP11B1CYP11B2HDAC1
SCHEMBL5639547 0.79 ATAD2 (0.44) ATAD2HDAC1HDAC8HDAC6POLB
SCHEMBL13340814 0.78 ATAD2 (0.64) ATAD2CYP1A2CYP11B1CYP11B2HDAC1
SCHEMBL8556144 0.78 CYP11B2 (0.51) ATAD2CYP1A2CYP11B1CYP11B2BRD4
SCHEMBL8556193 0.76 POLB (0.65) ATAD2CYP1A2CYP11B1CYP11B2POLB
SCHEMBL29525493 0.76 POLB (0.65) ATAD2CYP1A2CYP11B1CYP11B2POLB
SCHEMBL8128306 0.76 ATAD2 (0.61) ATAD2CYP1A2CYP11B1CYP11B2POLB

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