SCHEMBL8194331

SCHEMBL8194331

O=C(O)C(=O)Nc1cccc(N(CCN2CCOCC2)S(=O)(=O)c2ccccc2)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
CASR P41180 3/20 0.43
EPHX2 P34913 2/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 1/20 0.40
BMP1 P13497 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL8215760 0.93 MMP3 (0.43) MMP3MMP2MMP9MMP13CASR
SCHEMBL8187087 0.81 CASR (0.42) CASRALDH1A1KDM4EMEN1KMT2A
SCHEMBL7988935 0.80 CASR (0.43) MMP2MMP13CASREPHX2ALDH1A1
SCHEMBL7974691 0.74 BCL3 (0.47) EPHX2ALDH1A1KDM4EHTT
SCHEMBL8220670 0.73 CASR (0.41) CASREPHX2ALDH1A1KDM4EGAA
SCHEMBL7974287 0.70 ESR1 (0.44) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL28092846 0.67 MEN1 (0.58) MMP3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL21708238 0.65 ALDH1A1 (0.52) MMP3MMP2MMP9MMP13ALDH1A1
SCHEMBL7439490 0.65 POLB (0.53) MMP3MMP2MMP9MMP13ALDH1A1
SCHEMBL16691260 0.64 GAA (0.54) MMP2MMP13CASRALDH1A1MEN1

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-1062199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2000-12-27 EP claimed
WO-1999046236-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO claimed