SCHEMBL5837072

SCHEMBL5837072

CC[Si](CC)(CC)C(O)C1Cc2c(sc(N)c2C(=O)OC(C)(C)C)CO1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.39
ALDH1A1 P00352 12/20 0.36
MAPT P10636 11/20 0.36
HPGD P15428 6/20 0.36
GAA P10253 5/20 0.36
KDM4E B2RXH2 5/20 0.36
HSD17B10 Q99714 4/20 0.36
ALOX15 P16050 4/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 3/20 0.34
NPSR1 Q6W5P4 1/20 0.33
GRM6 O15303 1/20 0.33
ANO1 Q5XXA6 1/20 0.32

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
SCHEMBL15832909 0.77 ALDH1A1 (0.42) ADORA1ALDH1A1MAPTHPGDGAA
SCHEMBL5837689 0.77 ALDH1A1 (0.39) ADORA1ALDH1A1MAPTHPGDGAA
SCHEMBL5838030 0.77 ADORA1 (0.41) ADORA1ALDH1A1MAPTHPGDGAA
SCHEMBL5837586 0.77 ADORA1 (0.41) ADORA1ALDH1A1MAPTHPGDGAA
SCHEMBL5837719 0.76 ADORA1 (0.36) ADORA1ALDH1A1MAPTHPGDGAA
SCHEMBL5838598 0.76 ALDH1A1 (0.41) ADORA1ALDH1A1MAPTHPGDGAA
SCHEMBL5838763 0.75 ADORA1 (0.47) ADORA1ALDH1A1MAPTHPGDGAA
SCHEMBL5838142 0.70 ADORA1 (0.38) ADORA1ALDH1A1MAPTHPGDGAA
SCHEMBL5838353 0.69 ADORA1 (0.41) ADORA1ALDH1A1MAPTHPGDGAA
SCHEMBL6315716 0.69 CXCR2 (0.54) ADORA1ALDH1A1MAPTHPGDGAA

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
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
EP-1214325-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2005-11-09 EP disclosed
EP-1214325-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 EP disclosed
WO-2001019831-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 WO disclosed