SCHEMBL3386091

SCHEMBL3386091

CC(C)(C(=O)O)c1ccc(S(=O)(=O)N2CCSC2C(=O)N[C@H](c2ccccc2)c2ccccn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.46
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGFR P43088 1/20 0.42
KCNH2 Q12809 1/20 0.38
MCHR1 Q99705 1/20 0.38
DRD2 P14416 6/20 0.38
S1PR2 O95136 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR3 Q99500 1/20 0.36
GAA P10253 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
SCHEMBL3386093 1.00 HSD11B1 (0.46) HSD11B1ALDH1A1LMNAGLAPKM
SCHEMBL3385895 0.93 HSD11B1 (0.44) HSD11B1ALDH1A1LMNAGLAPKM
SCHEMBL3384969 0.93 HSD11B1 (0.44) HSD11B1ALDH1A1LMNAGLAPKM
SCHEMBL3384972 0.91 HSD11B1 (0.43) HSD11B1ALDH1A1LMNAGLAPKM
SCHEMBL3386891 0.90 HSD11B1 (0.44) HSD11B1ALDH1A1LMNAGLAPKM
SCHEMBL3386882 0.90 HSD11B1 (0.44) HSD11B1ALDH1A1LMNAGLAPKM
SCHEMBL3383876 0.89 PTGFR (0.42) HSD11B1ALDH1A1PTGFRDRD2S1PR2
SCHEMBL3381695 0.89 PTGFR (0.49) HSD11B1ALDH1A1PTGFRDRD2S1PR2
SCHEMBL3380122 0.89 PTGFR (0.49) HSD11B1ALDH1A1PTGFRDRD2S1PR2
SCHEMBL3381510 0.89 PTGFR (0.49) HSD11B1ALDH1A1PTGFRDRD2S1PR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487442-B1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR MERCK SERONO SA (CH) 2010-12-01 EP claimed