SCHEMBL5837814

SCHEMBL5837814

CC(C)(C)OC(=O)N1CCC(=O)CC1C(=O)Nc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
HDAC8 Q9BY41 5/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
GLA P06280 1/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GPR119 Q8TDV5 1/20 0.42

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
SCHEMBL5837820 1.00 NPC1 (0.55) NPC1HDAC8MEN1KMT2APTPN2
SCHEMBL7075840 0.85 NPC1 (0.65) NPC1HDAC8MEN1KMT2APTPN2
SCHEMBL7075835 0.85 NPC1 (0.65) NPC1HDAC8MEN1KMT2APTPN2
SCHEMBL28151955 0.84 LMNA (0.48) NPC1HDAC8MEN1KMT2ALMNA
SCHEMBL28151950 0.84 LMNA (0.48) NPC1HDAC8MEN1KMT2ALMNA
SCHEMBL2525285 0.83 NPC1 (0.77) NPC1MEN1KMT2ALMNANPSR1
SCHEMBL2389717 0.83 NPC1 (0.77) NPC1MEN1KMT2ALMNANPSR1
SCHEMBL3807585 0.82 NPC1 (0.71) NPC1MEN1KMT2ALMNANPSR1
SCHEMBL4547486 0.79 HSD17B10 (0.47) NPC1LMNANPSR1GPR119
SCHEMBL4869226 0.79 HSD17B10 (0.47) NPC1LMNANPSR1GPR119

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