SCHEMBL8553375

SCHEMBL8553375

O=C1CCc2cc(S)cc(Cl)c2N1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.50
CYP11B2 P19099 6/20 0.50
CYP1A2 P05177 1/20 0.50
AHR P35869 1/20 0.40
SRD5A1 P18405 1/20 0.36
CYP19A1 P11511 3/20 0.35
NPC1 O15118 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
CA9 Q16790 1/20 0.35
CRBN Q96SW2 1/20 0.34
PKM P14618 7/20 0.33
PKLR P30613 1/20 0.33
KIF11 P52732 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL9378752 0.81 CYP11B1 (0.52) CYP11B1CYP11B2CYP1A2AHRSRD5A1
SCHEMBL428384 0.80 CYP11B1 (0.51) CYP11B1CYP11B2CYP1A2AHRSRD5A1
SCHEMBL14779528 0.79 CYP11B1 (0.50) CYP11B1CYP11B2CYP1A2AHRSRD5A1
SCHEMBL7278086 0.79 CYP11B1 (0.50) CYP11B1CYP11B2CYP1A2AHRSRD5A1
SCHEMBL12559608 0.79 CYP11B1 (0.50) CYP11B1CYP11B2CYP1A2AHRSRD5A1
SCHEMBL19737432 0.75 CYP11B1 (0.47) CYP11B1CYP11B2CYP1A2AHRSRD5A1
SCHEMBL8557681 0.75 CYP1A2 (0.47) CYP11B1CYP11B2CYP1A2AHRSRD5A1
SCHEMBL15828561 0.75 CYP11B1 (0.47) CYP11B1CYP11B2CYP1A2AHRSRD5A1
SCHEMBL7267699 0.73 CYP11B1 (0.46) CYP11B1CYP11B2CYP1A2AHRSRD5A1
SCHEMBL1764695 0.70 AHR (0.70) CYP11B1CYP11B2CYP1A2AHRSRD5A1

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