SCHEMBL7570664

SCHEMBL7570664

O=C(NCC1OCCc2c1sc(NC1CCCCO1)c2C(=O)O)c1ccc2c(c1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.50
HSD17B10 Q99714 3/20 0.50
RAB9A P51151 6/20 0.41
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
FLT3 P36888 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 1/20 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
TSHR P16473 1/20 0.37
CASP1 P29466 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
SCHEMBL6428209 0.82 HPGD (0.54) HPGDHSD17B10RAB9ANPC1SMN1; SMN2
SCHEMBL6394168 0.80 PTPN1 (0.36)
SCHEMBL7536578 0.77 PTPN1 (0.38)
SCHEMBL7539431 0.75 PTPN2 (0.39) ALDH1A1KMT2AGAAL3MBTL1
SCHEMBL7536023 0.74 ALDH1A1 (0.38) HPGDHSD17B10RAB9ANPC1SMN1; SMN2
SCHEMBL5837892 0.73 HPGD (0.43) HPGDHSD17B10RAB9ANPC1SMN1; SMN2
SCHEMBL7539939 0.73 GAA (0.41) HSD17B10RAB9ANPC1TP53ALDH1A1
SCHEMBL5837844 0.73 HPGD (0.46) HPGDHSD17B10RAB9ANPC1SMN1; SMN2
SCHEMBL7535354 0.71 ITGA4 (0.40) RAB9AKDM4E
SCHEMBL7155796 0.71 PTPN2 (0.43) HPGDHSD17B10ALDH1A1KMT2AKDM4E

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
EP-1214060-A2 METHOD OF INHIBITING PROTEIN TYROSINE PHOSPHATASE 1B AND/OR T-CELL PROTEIN TYROSINE PHOSPHATASE AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 NOVO NORDISK A/S (DK) 2002-06-19 EP claimed
WO-2001017516-A2 METHOD OF INHIBITING PROTEIN TYROSINE PHOSPHATASE 1B AND/OR T-CELL PROTEIN TYROSINE PHOSPHATASE AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 NOVO NORDISK A/S (DK) 2001-03-15 WO claimed