SCHEMBL8554290

SCHEMBL8554290

CN1C(=O)CCc2c1ccc(S)c2F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 12/20 0.39
CYP11B2 P19099 9/20 0.39
BRD4 O60885 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP17A1 P05093 1/20 0.34
CYP19A1 P11511 1/20 0.34
TRPV1 Q8NER1 4/20 0.33
SRD5A1 P18405 1/20 0.33
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
SLC6A4 P31645 1/20 0.31
KCNH2 Q12809 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
SCHEMBL14779688 0.83 CYP11B1 (0.39) CYP11B1CYP11B2BRD4CYP1A2CYP17A1
SCHEMBL17724402 0.80 CYP11B1 (0.39) CYP11B1CYP11B2BRD4CYP1A2CYP17A1
SCHEMBL8553131 0.75 CYP11B1 (0.40) CYP11B1CYP11B2BRD4CYP1A2CYP17A1
SCHEMBL8557973 0.72 NOTUM (0.49) TRPV1HTR1AHTR1DHTR1BSLC6A4
SCHEMBL17713696 0.71 JAK2 (0.35) CYP11B1CYP11B2BRD4GABRG2GABRB3
SCHEMBL16132463 0.70 BRD4 (0.44) CYP11B1CYP11B2BRD4CYP1A2CYP17A1
SCHEMBL18635351 0.68 BRD4 (0.40) CYP11B1CYP11B2BRD4CYP1A2CYP17A1
SCHEMBL16110071 0.67 TRPV1 (0.40) CYP11B1CYP11B2BRD4CYP1A2CYP17A1
SCHEMBL424738 0.67 NOTUM (0.47) BRD4TRPV1HTR1AHTR1DHTR1B
SCHEMBL3600670 0.67 TRPV1 (0.40) CYP11B1CYP11B2BRD4CYP1A2CYP17A1

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