SCHEMBL5837539

SCHEMBL5837539

CC(C)(C)OC(=O)N1CCC(=O)CC1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
NR1H2 P55055 1/20 0.40
NPC1 O15118 1/20 0.38
UCHL1 P09936 2/20 0.38
SCN4A P35499 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
SCN5A Q14524 1/20 0.35
SCN3A Q9NY46 1/20 0.35
ESR2 Q92731 1/20 0.35
ADORA1 P30542 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
EPHX2 P34913 1/20 0.35
USP30 Q70CQ3 1/20 0.35
USP2 O75604 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL5837052 1.00 HSD17B10 (0.40) HSD17B10NR1H2NPC1UCHL1SCN4A
SCHEMBL30289230 0.86 HSD17B10 (0.41) HSD17B10NR1H2NPC1UCHL1SCN4A
SCHEMBL8235326 0.86 HSD17B10 (0.41) HSD17B10NR1H2NPC1UCHL1SCN4A
SCHEMBL19390003 0.86 NPC1 (0.41) HSD17B10NR1H2NPC1UCHL1SCN4A
SCHEMBL4869226 0.86 HSD17B10 (0.47) HSD17B10NR1H2NPC1UCHL1SCN4A
SCHEMBL4547486 0.86 HSD17B10 (0.47) HSD17B10NR1H2NPC1UCHL1SCN4A
SCHEMBL15606327 0.86 HSD17B10 (0.47) HSD17B10NR1H2NPC1UCHL1SCN4A
SCHEMBL10215478 0.86 NPC1 (0.41) HSD17B10NR1H2NPC1UCHL1SCN4A
SCHEMBL17358752 0.86 HSD17B10 (0.41) HSD17B10NR1H2NPC1UCHL1SCN4A
Tert-Butylamine SCHEMBL28919678 0.85 HSD17B10 (0.44) HSD17B10NR1H2NPC1UCHL1SCN4A

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
EP-1214324-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2006-06-14 EP disclosed
US-6410556-B1 ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 2002-06-25 US disclosed
EP-1214324-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 EP disclosed
WO-2001019830-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 WO disclosed