SCHEMBL29027552

SCHEMBL29027552

NCC(=O)NCC(=O)N(CC(=O)O)C(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.51
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
SLC7A5 Q01650 1/20 0.43
SLC15A1 P46059 1/20 0.42
CTSC P53634 2/20 0.40
LTA4H P09960 1/20 0.40
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
AOC3 Q16853 2/20 0.39
MC4R P32245 1/20 0.38
MC5R P33032 1/20 0.38
MC3R P41968 1/20 0.38
ANPEP P15144 1/20 0.38
RNPEP Q9H4A4 1/20 0.38
DNPEP Q9ULA0 1/20 0.38

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
SCHEMBL7587110 0.86 ALPI (0.51) MMP2ALPIPKMPTGS1XIAP
SCHEMBL27426539 0.86 ALPI (0.51) MMP2ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL11437267 0.78 SLC7A5 (0.65) MMP2ALPIPKMPTGS1XIAP
SCHEMBL14691646 0.77 ALPI (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8005620 0.77 ALPI (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9121729 0.77 MMP2 (0.36) MMP2AOC3
SCHEMBL28540563 0.76 ALPI (0.46) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7366359 0.76 SLC7A5 (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27343864 0.76 SLC7A5 (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8499117 0.74 GPR139 (0.34) MMP2AOC3

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
CN-116209476-A Antifolate linker-drug and antibody-drug conjugates 拜奥迪斯私人有限公司 2023-06-02 CN disclosed