SCHEMBL5838339

SCHEMBL5838339

CC(C)(C)OC(=O)c1c(NC(=O)OCc2ccccc2)sc2c1CC(C(=O)N1Cc3ccccc3C1=O)N(C(=O)O)C2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.37
CXCR2 P25025 3/20 0.36
CASP1 P29466 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
ADORA3 P0DMS8 1/20 0.34
PDE4D Q08499 1/20 0.34
PREP P48147 2/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL5837092 0.89 PREP (0.41) NT5ECXCR2L3MBTL1ADORA3PDE4D
SCHEMBL5838449 0.87 CXCR2 (0.39) NT5ECXCR2L3MBTL1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL5837761 0.85 CXCR2 (0.39) NT5ECXCR2CASP1L3MBTL1ALDH1A1
SCHEMBL5837716 0.82 GRM6 (0.38) CXCR2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL6049867 0.82 NT5E (0.37) NT5ECXCR2CASP1L3MBTL1ADORA3
SCHEMBL5837084 0.82 NT5E (0.37) NT5ECXCR2CASP1L3MBTL1ADORA3
SCHEMBL5838102 0.81 PTPN1 (0.38) NT5ECXCR2L3MBTL1ALDH1A1MAPT
SCHEMBL6049849 0.79 NT5E (0.38) NT5ECXCR2L3MBTL1ADORA3PDE4D
SCHEMBL5838331 0.79 NT5E (0.38) NT5ECXCR2L3MBTL1ADORA3PDE4D
SCHEMBL5838939 0.77 CXCR2 (0.36) NT5ECXCR2MAPTKMT2A

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
US-7115624-B1 Method of inhibiting protein tyrosine phosphatase 1B and/or T-cell protein tyrosine phosphatase 4 and/or other PTPases with an Asp residue at position 48 NOVO NORDISK A/S (DK) 2006-10-03 US disclosed