SCHEMBL4960998

SCHEMBL4960998

COC(=O)[C@@](N)(CC1CCCCC1)C(=O)[C@@H](N)CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.36
GRM3 Q14832 1/20 0.36
MMP1 P03956 2/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
ADAM17 P78536 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SLC1A3 P43003 3/20 0.35
SLC1A2 P43004 3/20 0.35
SLC1A1 P43005 3/20 0.35
METAP2 P50579 2/20 0.34
FFAR1 O14842 1/20 0.32
DPP4 P27487 1/20 0.32
APLNR P35414 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
CASP1 P29466 1/20 0.32
METAP1 P53582 2/20 0.32
GRIK1 P39086 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL11217507 0.86 GRM2 (0.42) GRM2GRM3ALDH1A1SLC1A3SLC1A2
SCHEMBL10795384 0.81 ALDH1A1 (0.34) ALDH1A1DPP4
SCHEMBL10795214 0.81 ALDH1A1 (0.34) ALDH1A1DPP4
SCHEMBL10793303 0.80 ALDH1A1 (0.35) ALDH1A1
SCHEMBL10792858 0.79 ALDH1A1 (0.32) ALDH1A1DPP4
SCHEMBL10796416 0.79 ALDH1A1 (0.34) ALDH1A1
SCHEMBL7205002 0.78 FNTA (0.38) MMP1MMP9METAP2FFAR1MMP2
SCHEMBL10798839 0.76
SCHEMBL10791407 0.75
SCHEMBL10791499 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1114828-B1 N-ALKYLASPARTYLDIPEPTIDE ESTER DERIVATIVES AND SWEETENERS AJINOMOTO KK (JP) 2008-03-12 EP disclosed
EP-1114828-A1 N-ALKYLASPARTYLDIPEPTIDE ESTER DERIVATIVES AND SWEETENERS Ajinomoto Co., Inc. (JP) 2001-07-11 EP disclosed