SCHEMBL2583802

SCHEMBL2583802

CC[C@@](CCC(=O)c1cccc(Cl)c1)(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
CTSL P07711 1/20 0.41
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
SLC6A2 P23975 2/20 0.37
CHRNA1 P02708 1/20 0.37
CHRNG P07510 1/20 0.37
ITGA5 P08648 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
SLC6A4 P31645 1/20 0.37
CHRNA3 P32297 1/20 0.37
CYP2C19 P33261 1/20 0.37
HRH1 P35367 1/20 0.37
CHRNA7 P36544 1/20 0.37
OPRK1 P41145 1/20 0.37
CHRNA4 P43681 1/20 0.37
SLC6A3 Q01959 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
SCHEMBL2587439 0.87 CTSS (0.41) MAPTKCNH2KMT2AMEN1SMN1; SMN2
SCHEMBL2575528 0.86 ALDH1A1 (0.47) ERCC5FEN1ALDH1A1MAPTKMT2A
SCHEMBL2581151 0.83 CHRNA1 (0.36) ALDH1A1MAPTSLC6A2CHRNA1CHRNG
SCHEMBL2459388 0.80 PLOD2 (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL2585429 0.80 CTSS (0.33) SLC6A3LMNA
SCHEMBL2584672 0.79 AAK1 (0.34) ALDH1A1MAPT
SCHEMBL2587766 0.76 CTSS (0.35) ALDH1A1MAPTKMT2AMEN1
SCHEMBL840032 0.76 EGFR (0.50) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4521097 0.76 CTSL (0.52) ERCC5FEN1CTSLALDH1A1MAPT
SCHEMBL4521105 0.76 CTSL (0.52) ERCC5FEN1CTSLALDH1A1MAPT

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
US-8048878-B2 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-11-01 US disclosed