SCHEMBL6362089

SCHEMBL6362089

COC(=O)C(CC(C)C)S(=O)(=O)CS(=O)(=O)N1CCC(Oc2ccc(F)cc2Br)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.41
IKBKB O14920 1/20 0.40
UTS2R Q9UKP6 3/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNT1 Q5JUK3 1/20 0.35
CYP2D6 P10635 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GPR6 P46095 5/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL6218839 0.86 PTGDR (0.42) PTGDRIKBKBUTS2RPDE4APDE4B
SCHEMBL6218902 0.80 PTGDR (0.42) PTGDRIKBKBUTS2RPDE4APDE4B
SCHEMBL6104086 0.80 PTGDR (0.45) PTGDRIKBKBUTS2RSMN1; SMN2GPR6
SCHEMBL6362091 0.78 PTGDR (0.43) PTGDRIKBKBSMN1; SMN2GPR6
SCHEMBL6218845 0.75 GPR6 (0.36) IKBKBCYP2D6L3MBTL1GPR6ALDH1A1
SCHEMBL6103913 0.73 TDO2 (0.47) IKBKBPDE4BCYP2D6L3MBTL1GPR6
SCHEMBL6245804 0.72 PTGDR (0.44) PTGDRIKBKBUTS2RALDH1A1
SCHEMBL6104724 0.72 PTGDR (0.44) PTGDRIKBKBUTS2RALDH1A1
SCHEMBL6245802 0.72 PTGDR (0.44) PTGDRIKBKBUTS2RALDH1A1
SCHEMBL6103514 0.72 PTGDR (0.41) PTGDRIKBKBUTS2RSMN1; SMN2L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539159-A1 SULPHONYLPIPERIDINE DERIVATIVES CONTAINING AN ARYL OR HETEROARYL GROUP FOR USE AS MATRIX METALLOPROTEINASE INHIBITORS Astrazeneca AB (SE) 2005-06-15 EP disclosed
WO-2004006926-A1 SULPHONYLPIPERIDINE DERIVATIVES CONTAINING AN ARYL OR HETEROARYL GROUP FOR USE AS MATRIX METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2004-01-22 WO disclosed