SCHEMBL7844033

SCHEMBL7844033

CS(=O)(=O)OCC1CC(OCc2ccccc2)CN1S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.50
BDKRB2 P30411 2/20 0.47
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CASP3 P42574 4/20 0.39
CASP7 P55210 3/20 0.39
PKM P14618 1/20 0.39
CCR4 P51679 4/20 0.39
ECE1 P42892 3/20 0.39
MCOLN3 Q8TDD5 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C1 Q04828 1/20 0.38

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
SCHEMBL6949077 1.00 MMP9 (0.50) MMP9BDKRB2LMNAALDH1A1SMN1; SMN2
SCHEMBL7846611 0.87 MMP9 (0.52) MMP9BDKRB2LMNAALDH1A1SMN1; SMN2
SCHEMBL6946762 0.87 MMP9 (0.52) MMP9BDKRB2LMNAALDH1A1SMN1; SMN2
SCHEMBL5414263 0.85 MMP9 (0.41) MMP9BDKRB2LMNAALDH1A1SMN1; SMN2
SCHEMBL5414258 0.85 MMP9 (0.41) MMP9BDKRB2LMNAALDH1A1SMN1; SMN2
SCHEMBL6951034 0.85 MMP9 (0.53) MMP9BDKRB2ALDH1A1CCR4ECE1
SCHEMBL6945270 0.85 MMP9 (0.53) MMP9BDKRB2ALDH1A1CCR4ECE1
SCHEMBL5415738 0.80 MMP9 (0.41) MMP9BDKRB2LMNAALDH1A1SMN1; SMN2
SCHEMBL5401022 0.80 MMP9 (0.44) MMP9BDKRB2LMNAALDH1A1SMN1; SMN2
SCHEMBL5405167 0.80 CASP3 (0.45) LMNAALDH1A1SMN1; SMN2CASP3CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877737-B1 NOVEL N-(ARYLSULPHONYL)AMINO ACID DERIVATIVES HAVING BRADYKININ RECEPTOR AFFINITY SANOFI SYNTHELABO (FR) 2001-08-01 EP disclosed
EP-0877737-A1 NOVEL N-(ARYLSULPHONYL)AMINO ACID DERIVATIVES HAVING BRADYKININ RECEPTOR AFFINITY SANOFI (FR) 1998-11-18 EP disclosed
WO-1997025315-A1 NOVEL N-(ARYLSULPHONYL)AMINO ACID DERIVATIVES HAVING BRADYKININ RECEPTOR AFFINITY SANOFI (FR) 1997-07-17 WO disclosed