SCHEMBL6245802

SCHEMBL6245802

O=C(O)[C@H](CS(=O)(=O)N1CCC(Oc2ccc(F)cc2Br)CC1)C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.44
IKBKB O14920 1/20 0.41
EPHX2 P34913 1/20 0.41
HRH1 P35367 2/20 0.38
CCR3 P51677 2/20 0.38
UTS2R Q9UKP6 2/20 0.38
PKM P14618 1/20 0.38
SCD O00767 8/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
SCD5 Q86SK9 1/20 0.36

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
SCHEMBL6245804 1.00 PTGDR (0.44) PTGDRIKBKBEPHX2HRH1CCR3
SCHEMBL6104724 1.00 PTGDR (0.44) PTGDRIKBKBEPHX2HRH1CCR3
SCHEMBL6220281 0.92 EPHX2 (0.41) PTGDRIKBKBEPHX2UTS2RSCD
SCHEMBL6104086 0.83 PTGDR (0.45) PTGDRIKBKBHRH1CCR3UTS2R
SCHEMBL6246834 0.81 IKBKB (0.42) PTGDRIKBKBHRH1CCR3PKM
SCHEMBL6246832 0.81 IKBKB (0.43) PTGDRIKBKBPKMSCDALDH1A1
SCHEMBL27604308 0.81 PTGDR (0.43) PTGDRIKBKBEPHX2HRH1CCR3
SCHEMBL6103514 0.80 PTGDR (0.41) PTGDRIKBKBHRH1CCR3UTS2R
SCHEMBL6218902 0.77 PTGDR (0.42) PTGDRIKBKBUTS2RALDH1A1POLB
SCHEMBL6218839 0.77 PTGDR (0.42) PTGDRIKBKBUTS2RALDH1A1

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