SCHEMBL5837844

SCHEMBL5837844

CC(C)(C)OC(=O)c1c(N)sc2c1CCOC2CNC(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.46
HSD17B10 Q99714 1/20 0.46
RAB9A P51151 10/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 7/20 0.38
TP53 P04637 3/20 0.38
GLA P06280 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
KMT2A Q03164 1/20 0.38
RELA Q04206 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FLT3 P36888 1/20 0.37
THRB P10828 1/20 0.37
CASP3 P42574 1/20 0.37

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
SCHEMBL5837892 0.87 HPGD (0.43) HPGDHSD17B10RAB9AALDH1A1SMN1; SMN2
SCHEMBL6317021 0.80 ADORA1 (0.35) HPGDHSD17B10ALDH1A1SMN1; SMN2MEN1
SCHEMBL5838672 0.75 ADORA1 (0.38) HPGDHSD17B10ALDH1A1SMN1; SMN2MEN1
SCHEMBL5838350 0.75 ADORA1 (0.38) HPGDHSD17B10ALDH1A1SMN1; SMN2MEN1
SCHEMBL5837645 0.75 ADORA1 (0.34) HPGDHSD17B10ALDH1A1SMN1; SMN2MEN1
SCHEMBL5838038 0.75 ALDH1A1 (0.41) HSD17B10ALDH1A1TP53GLAMEN1
SCHEMBL5837707 0.74 GRM6 (0.34) HSD17B10RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL5838674 0.74 GPR119 (0.41) HPGDHSD17B10ALDH1A1SMN1; SMN2HTT
SCHEMBL7570664 0.73 HPGD (0.50) HPGDHSD17B10RAB9AALDH1A1SMN1; SMN2
SCHEMBL5838379 0.73 CTSS (0.32) HPGDALDH1A1MEN1POLBKMT2A

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 5 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
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