SCHEMBL8634870

SCHEMBL8634870

CCCCCN[C@@H](CC(N)=O)C(=O)NO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.45
ECE1 P42892 3/20 0.42
DPP7 Q9UHL4 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
NOD1 Q9Y239 1/20 0.37
RRM1 P23921 1/20 0.37
EPHX1 P07099 4/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
SIRT6 Q8N6T7 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
BCHE P06276 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL7355950 0.84 NOD1 (0.40) ECE1DPP7CA1CA2NOD1
SCHEMBL1045358 0.83 EPHX1 (0.42) DPP7NOD1RRM1EPHX1GNAI3
SCHEMBL29364715 0.83 EPHX1 (0.42) DPP7NOD1RRM1EPHX1GNAI3
SCHEMBL29697582 0.83 EPHX1 (0.42) DPP7NOD1RRM1EPHX1GNAI3
SCHEMBL1045359 0.83 EPHX1 (0.42) DPP7NOD1RRM1EPHX1GNAI3
SCHEMBL23831532 0.83 EPHX1 (0.42) DPP7NOD1RRM1EPHX1GNAI3
SCHEMBL4285744 0.83 NOD1 (0.48) ECE1DPP7NOD1EPHX1ALOX15
SCHEMBL4285748 0.83 NOD1 (0.48) ECE1DPP7NOD1EPHX1ALOX15
SCHEMBL2692730 0.83 EPHX1 (0.42) DPP7NOD1RRM1EPHX1GNAI3
SCHEMBL8515974 0.81 S1PR1 (0.39) DPP7NOD1RRM1

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
EP-0832851-A1 Biodegradable poly (amino acids), derivatized amino acid polymers and methods for making the same Nalco Chemical Company (US) 1998-04-01 EP claimed