SCHEMBL7568404

SCHEMBL7568404

O=C(O)c1c(NC2CCCCO2)sc2c1CC(CN1C(=O)c3ccc(O)cc3C1=O)OC2

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.43
GAA P10253 3/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 2/20 0.39
KDM4E B2RXH2 3/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
POLB P06746 1/20 0.37
HPGD P15428 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
SCHEMBL7846887 0.89 ALDH1A1 (0.39) ALDH1A1GAAKMT2AHSD17B10MEN1
SCHEMBL7862333 0.89 ALDH1A1 (0.47) ALDH1A1GAAKMT2AHSD17B10MEN1
SCHEMBL7563366 0.89 ALDH1A1 (0.42) ALDH1A1GAAKMT2AHSD17B10MEN1
SCHEMBL7854356 0.86 ALDH1A1 (0.48) ALDH1A1GAAKMT2AHSD17B10MEN1
SCHEMBL5843765 0.86 ALDH1A1 (0.38) ALDH1A1GAAKMT2AHSD17B10MEN1
SCHEMBL7864191 0.85 ALDH1A1 (0.36) ALDH1A1GAAKMT2AHSD17B10MEN1
SCHEMBL5837692 0.84 PTPN1 (0.42) ALDH1A1GAAKMT2AHSD17B10MEN1
SCHEMBL7692364 0.84 KMT2A (0.34) ALDH1A1GAAKMT2AMEN1POLB
SCHEMBL6225735 0.83 ALDH1A1 (0.37) ALDH1A1TSHRKDM4E
SCHEMBL7567316 0.82 RAB7A (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214060-A2 METHOD OF INHIBITING PROTEIN TYROSINE PHOSPHATASE 1B AND/OR T-CELL PROTEIN TYROSINE PHOSPHATASE AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 NOVO NORDISK A/S (DK) 2002-06-19 EP disclosed
WO-2001017516-A2 METHOD OF INHIBITING PROTEIN TYROSINE PHOSPHATASE 1B AND/OR T-CELL PROTEIN TYROSINE PHOSPHATASE AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 NOVO NORDISK A/S (DK) 2001-03-15 WO disclosed
EP-1080095-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2001-03-07 EP disclosed
WO-1999046267-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed