SCHEMBL20915026

SCHEMBL20915026

NCCCC(C(=O)[C@@H](N)CC(=O)O)[C@H](N)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.44
CPB2 Q96IY4 2/20 0.38
BHMT Q93088 3/20 0.36
RNPEP Q9H4A4 1/20 0.35
FOLH1 Q04609 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 2/20 0.34
GRM8 O00222 1/20 0.34
GRM6 O15303 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIK1 P39086 1/20 0.34
GRM5 P41594 1/20 0.34
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
GRIA4 P48058 1/20 0.34

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
SCHEMBL20915027 1.00 GSR (0.44) GSRCPB2BHMTRNPEPFOLH1
SCHEMBL7147106 0.85 GSR (0.50) GSRCPB2BHMTFOLH1CYP1A2
SCHEMBL7147101 0.85 GSR (0.50) GSRCPB2BHMTFOLH1CYP1A2
SCHEMBL5197550 0.81 TDP1 (0.48) GSRBHMTTDP1CYP1A2GRM8
SCHEMBL7271506 0.79 GSR (0.50) GSRCPB2RNPEPCYP1A2SLC1A3
SCHEMBL5280980 0.79 GSR (0.50) GSRCPB2RNPEPCYP1A2SLC1A3
SCHEMBL482961 0.79 CPB2 (0.44) GSRCPB2RNPEPSLC1A3SLC1A2
SCHEMBL482963 0.79 CPB2 (0.44) GSRCPB2RNPEPSLC1A3SLC1A2
Aspartic Acid SCHEMBL755884 0.76 GSR (0.69) GSRCPB2BHMTCYP1A2GRM8
Aspartic Acid SCHEMBL8919110 0.76 GSR (0.69) GSRCPB2BHMTCYP1A2GRM8

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-20190117548-A1 ASPARTYL-DIPEPTIDES FOR SKIN CARE AND COSMETIC USE CYSAL GMBH (DE) 2019-04-25 US disclosed