SCHEMBL4049114

SCHEMBL4049114

CCNC(=O)N(S)c1ccc(CC(=O)OCC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4Z1 Q86W10 1/20 0.49
MAPT P10636 3/20 0.44
LMNA P02545 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
LIPE Q05469 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
PPIB P23284 1/20 0.37
PPIA P62937 1/20 0.37
PPID Q08752 1/20 0.37
PPIG Q13427 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
TBXAS1 P24557 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
SCHEMBL68851 0.76 CYP4Z1 (0.62) CYP4Z1MAPTLMNAKDM4EALDH1A1
SCHEMBL512626 0.76 CYP4Z1 (0.55) CYP4Z1MAPTLMNAKDM4EALDH1A1
SCHEMBL11077525 0.74 CYP4Z1 (0.54) CYP4Z1MAPTLMNAKDM4EALDH1A1
SCHEMBL4052194 0.74 CYP4F2 (0.50) MAPTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL17316726 0.73 CYP4Z1 (0.52) CYP4Z1MAPTLMNAKDM4EALDH1A1
SCHEMBL10798505 0.72 CYP4F2 (0.56) CYP4Z1MAPTLMNAKDM4EALDH1A1
SCHEMBL184705 0.72 CYP4Z1 (0.54) CYP4Z1MAPTLMNAKDM4EALDH1A1
SCHEMBL1809809 0.72 CYP4Z1 (0.54) CYP4Z1MAPTLMNAKDM4EALDH1A1
SCHEMBL68930 0.71 CYP4Z1 (0.57) CYP4Z1MAPTLMNAKDM4EALDH1A1
SCHEMBL6057577 0.71 CYP4F2 (0.59) CYP4Z1MAPTLMNAKDM4EALDH1A1

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
WO-2009109998-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO disclosed