SCHEMBL5837892

SCHEMBL5837892

CC(C)(C)OC(=O)C(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CCOC2CNC(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.43
HSD17B10 Q99714 2/20 0.43
FLT3 P36888 1/20 0.38
RAB9A P51151 11/20 0.37
NPC1 O15118 7/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 4/20 0.37
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
KMT2A Q03164 1/20 0.37
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
HTT P42858 2/20 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
SCHEMBL5837844 0.87 HPGD (0.46) HPGDHSD17B10FLT3RAB9ANPC1
SCHEMBL6315778 0.82 PTPN2 (0.38) HPGDSMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL5837475 0.78 PTPN1 (0.40) HPGDHSD17B10ALDH1A1TSHRKDM4E
SCHEMBL5838593 0.77 PTPN2 (0.39) HPGDHSD17B10ALDH1A1KDM4EUSP2
SCHEMBL5837704 0.77 CXCR2 (0.39) HSD17B10ALDH1A1TSHRL3MBTL1KDM4E
SCHEMBL5838347 0.76 GPR119 (0.39) HPGDHSD17B10SMN1; SMN2ALDH1A1KDM4E
SCHEMBL5837100 0.75 CXCR2 (0.36) HPGDALDH1A1POLBPTPN2PTPN1
SCHEMBL5838097 0.74 CTSS (0.45) KMT2A
SCHEMBL5838437 0.74 CTSS (0.38) PTPN2PTPN1PTPRB
SCHEMBL7570664 0.73 HPGD (0.50) HPGDHSD17B10FLT3RAB9ANPC1

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
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
US-7019026-B1 Modulators of Protein Tyrosine Phosphatases (PTPases) NOVO NORDISK A/S (DK) 2006-03-28 US disclosed