SCHEMBL7339296

SCHEMBL7339296

CC(C)CC(NC(=O)N1CCN(C)CC1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.64
ALDH1A1 P00352 3/20 0.51
POLB P06746 1/20 0.50
CTSS P25774 5/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 1/20 0.46
CAPN1 P07384 1/20 0.46
GRN P28799 1/20 0.46
SORT1 Q99523 1/20 0.46
CYP2C19 P33261 1/20 0.44
FOLH1 Q04609 2/20 0.44
KDM4E B2RXH2 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43
LAP3 P28838 2/20 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
SCHEMBL6618585 1.00 GAA (0.64) GAAALDH1A1POLBCTSSMEN1
SCHEMBL6661676 0.87 GAA (0.50) GAAALDH1A1POLBCTSSCAPN1
SCHEMBL7341199 0.85 GAA (0.62) GAAALDH1A1POLBCTSSMEN1
SCHEMBL3966807 0.85 GAA (0.62) GAAALDH1A1POLBCTSSMEN1
SCHEMBL7040252 0.85 GAA (0.62) GAAALDH1A1POLBCTSSMEN1
SCHEMBL6712836 0.84 GAA (0.58) GAAALDH1A1POLBCTSSMEN1
SCHEMBL6447450 0.83 GAA (0.59) GAAALDH1A1POLBCTSSMEN1
SCHEMBL7027854 0.83 CTSS (0.69) GAAALDH1A1CTSSCAPN1
SCHEMBL6801263 0.83 CTSS (0.69) GAAALDH1A1CTSSCAPN1
SCHEMBL6447455 0.83 GAA (0.59) GAAALDH1A1POLBCTSSMEN1

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-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US disclosed