SCHEMBL28779606

SCHEMBL28779606

CCOC(=O)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.55
GAA P10253 2/20 0.53
RECQL P46063 1/20 0.52
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
PTPN6 P29350 1/20 0.51
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.49
TSHR P16473 1/20 0.49
STS P08842 5/20 0.47
CHRM1 P11229 1/20 0.46
EPHX1 P07099 1/20 0.46
LMNA P02545 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL337418 0.85 ALDH1A1 (0.65) HPGDGAARECQLPTPN2PTPN1
SCHEMBL14698843 0.85 HPGD (0.46) HPGDGAARECQLPTPN2PTPN1
SCHEMBL20428017 0.84 HPGD (0.45) HPGDGAARECQLPTPN2PTPN1
SCHEMBL31706334 0.83 KMT2A (0.58) HPGDGAARECQLPTPN2PTPN1
SCHEMBL15878573 0.82 HPGD (0.55) HPGDGAARECQLPTPN2PTPN1
SCHEMBL13459039 0.82 HPGD (0.55) HPGDGAARECQLPTPN2PTPN1
SCHEMBL4034044 0.80 GAA (0.61) HPGDGAARECQLKMT2AALDH1A1
SCHEMBL6643493 0.80 ALDH1A1 (0.60) HPGDGAARECQLPTPN2PTPN1
SCHEMBL583783 0.80 HPGD (0.52) HPGDGAARECQLPTPN2PTPN1
SCHEMBL634024 0.80 ALDH1A1 (0.60) HPGDGAARECQLKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101516874-A Pyrrole derivatives for the treatment of cytokine mediated diseases NOVARTIS AG (CH) 2009-08-26 CN disclosed