SCHEMBL5837092

SCHEMBL5837092

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.41
NT5E P21589 1/20 0.40
CXCR2 P25025 3/20 0.40
PDE4D Q08499 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MMP8 P22894 2/20 0.37
MMP3 P08254 1/20 0.37
NAMPT P43490 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
SCHEMBL5838339 0.89 NT5E (0.37) PREPNT5ECXCR2PDE4DL3MBTL1
SCHEMBL7529881 0.78 NT5E (0.39) NT5ECXCR2PDE4DL3MBTL1ADORA3
SCHEMBL6049867 0.77 NT5E (0.37) NT5ECXCR2PDE4DL3MBTL1ADORA3
SCHEMBL5837084 0.77 NT5E (0.37) NT5ECXCR2PDE4DL3MBTL1ADORA3
SCHEMBL5838331 0.77 NT5E (0.38) NT5ECXCR2PDE4DL3MBTL1ADORA3
SCHEMBL6049849 0.77 NT5E (0.38) NT5ECXCR2PDE4DL3MBTL1ADORA3
SCHEMBL5838102 0.76 PTPN1 (0.38) NT5ECXCR2L3MBTL1NPSR1
SCHEMBL5838449 0.75 CXCR2 (0.39) NT5ECXCR2L3MBTL1KMT2ANPSR1
Hydrochloric Acid SCHEMBL5837761 0.74 CXCR2 (0.39) NT5ECXCR2L3MBTL1NPSR1
SCHEMBL5837677 0.74 CXCR2 (0.46) NT5ECXCR2PDE4DNPSR1

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