SCHEMBL8516747

SCHEMBL8516747

CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.59
HSD17B10 Q99714 1/20 0.58
RECQL P46063 1/20 0.56
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
PTPN6 P29350 1/20 0.51
GPR119 Q8TDV5 1/20 0.49
EPHX1 P07099 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
USP2 O75604 1/20 0.47
STS P08842 4/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL43357 0.93 HPGD (0.66) HPGDHSD17B10RECQLPTPN2PTPN1
Acetic Acid SCHEMBL7381337 0.90 HPGD (0.62) HPGDHSD17B10RECQLPTPN2PTPN1
SCHEMBL3919189 0.87 HPGD (0.77) HPGDHSD17B10RECQLPTPN2PTPN1
Methylene Chloride SCHEMBL27882742 0.87 HPGD (0.59) HPGDHSD17B10RECQLPTPN2PTPN1
SCHEMBL5425897 0.87 HPGD (0.68) HPGDHSD17B10RECQLPTPN2PTPN1
SCHEMBL31169952 0.86 HPGD (0.70) HPGDHSD17B10RECQLPTPN2PTPN1
SCHEMBL5169360 0.84 HPGD (0.56) HPGDHSD17B10RECQLPTPN2PTPN1
SCHEMBL15487760 0.84 HPGD (0.56) HPGDHSD17B10RECQLPTPN2PTPN1
SCHEMBL42958 0.83 HPGD (0.62) HPGDHSD17B10RECQLPTPN2PTPN1
SCHEMBL42957 0.83 HPGD (0.62) HPGDHSD17B10RECQLPTPN2PTPN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0883405-A4 AMIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 1999-04-28 EP disclosed
EP-0883405-A1 AMIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-12-16 EP disclosed
WO-1997024135-A1 AMIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-07-10 WO disclosed