SCHEMBL8556509

SCHEMBL8556509

CCN1C(=O)CCc2cc(S(=O)(=O)Cl)ccc21

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.61
CYP1A2 P05177 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
BRD4 O60885 1/20 0.43
LMNA P02545 6/20 0.42
MAPT P10636 4/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
POLB P06746 4/20 0.40
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL29290375 0.89 ATAD2 (0.48) ATAD2CYP1A2CYP11B1CYP11B2ALDH1A1
SCHEMBL5639284 0.81 LMNA (0.50) LMNAMAPTPOLBTDP1
SCHEMBL8600438 0.81 TRIM24 (0.53) CYP1A2CYP11B1CYP11B2ALDH1A1GAA
SCHEMBL435242 0.77 ATAD2 (0.69) ATAD2CYP1A2CYP11B1CYP11B2ALDH1A1
SCHEMBL31130019 0.77 NOTUM (0.45) ALDH1A1LMNAMAPTPOLB
SCHEMBL3112781 0.77 NOTUM (0.45) ALDH1A1LMNAMAPTPOLB
SCHEMBL8138675 0.76 ATAD2 (1.00) ATAD2CYP1A2CYP11B1CYP11B2ALDH1A1
SCHEMBL8553331 0.76 ATAD2 (0.68) ATAD2CYP1A2CYP11B1CYP11B2ALDH1A1
SCHEMBL5534846 0.76 ATAD2 (0.68) ATAD2CYP1A2CYP11B1CYP11B2ALDH1A1
SCHEMBL1119384 0.76 ATAD2 (0.68) ATAD2CYP1A2CYP11B1CYP11B2ALDH1A1

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