SCHEMBL9111863

SCHEMBL9111863

C[C@@H](NC(=O)C(N)CCC(=O)[C@H](N)CC(=O)O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HDAC8 Q9BY41 2/20 0.49
CASR P41180 1/20 0.48
MMP2 P08253 3/20 0.46
MMP3 P08254 2/20 0.46
MAPT P10636 2/20 0.46
MMP9 P14780 2/20 0.45
MMP8 P22894 2/20 0.45
DPP4 P27487 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
MMP14 P50281 1/20 0.43
EPHX1 P07099 2/20 0.43
TLR2 O60603 1/20 0.43

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
SCHEMBL8761863 0.83 MMP9 (0.57) POLBCTDSP1MEN1KMT2AHDAC8
SCHEMBL8761898 0.83 MMP9 (0.57) POLBCTDSP1MEN1KMT2AHDAC8
SCHEMBL1168971 0.81 POLB (0.64) POLBCTDSP1MEN1KMT2AHDAC8
SCHEMBL8761845 0.81 MEN1 (0.51) POLBCTDSP1MEN1KMT2AHDAC8
SCHEMBL8760756 0.81 POLB (0.53) POLBCTDSP1MEN1KMT2AHDAC8
SCHEMBL8761814 0.80 MEN1 (0.57) POLBCTDSP1MEN1KMT2AHDAC8
SCHEMBL27518632 0.79 POLB (0.57) POLBCTDSP1MEN1KMT2AHDAC8
SCHEMBL27518634 0.79 POLB (0.57) POLBCTDSP1MEN1KMT2AHDAC8
SCHEMBL7313409 0.78 POLB (0.55) POLBCTDSP1MEN1KMT2AHDAC8
SCHEMBL7313421 0.78 POLB (0.55) POLBCTDSP1MEN1KMT2AHDAC8

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-1995017418-A2 NOVEL INTERMEDIATES FOR THE SYNTHESIS OF L-ASPARTYL-D-α-AMINOALKANOYL-(S)-N-α-ALKYLBENZYL AMIDES USEFUL AS ARTIFICIAL SWEETENERS THE COCA-COLA COMPANY (US) 1995-06-29 WO disclosed