SCHEMBL6362091

SCHEMBL6362091

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.43
IKBKB O14920 1/20 0.40
HRH1 P35367 2/20 0.38
CCR3 P51677 2/20 0.38
GPR6 P46095 8/20 0.38
ADAMTS4 O75173 1/20 0.37
MMP2 P08253 1/20 0.37
MMP13 P45452 1/20 0.37
MMP14 P50281 1/20 0.37
SCD O00767 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RAB9A P51151 1/20 0.36
RORC P51449 2/20 0.36
RBP4 P02753 1/20 0.35

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
SCHEMBL6104086 0.79 PTGDR (0.45) PTGDRIKBKBHRH1CCR3GPR6
SCHEMBL6362089 0.78 PTGDR (0.41) PTGDRIKBKBGPR6SMN1; SMN2
SCHEMBL6218902 0.76 PTGDR (0.42) PTGDRIKBKBGPR6RORC
SCHEMBL6218839 0.76 PTGDR (0.42) PTGDRIKBKBGPR6SMN1; SMN2RORC
SCHEMBL6245802 0.75 PTGDR (0.44) PTGDRIKBKBHRH1CCR3SCD
SCHEMBL6245804 0.75 PTGDR (0.44) PTGDRIKBKBHRH1CCR3SCD
SCHEMBL6104724 0.75 PTGDR (0.44) PTGDRIKBKBHRH1CCR3SCD
SCHEMBL6103913 0.74 TDO2 (0.47) IKBKBGPR6RORC
SCHEMBL6246834 0.74 IKBKB (0.42) PTGDRIKBKBHRH1CCR3SCD
SCHEMBL6246832 0.73 IKBKB (0.43) PTGDRIKBKBGPR6MMP13SCD

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