SCHEMBL8728335

SCHEMBL8728335

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.33
ENPEP Q07075 2/20 0.33
MMP9 P14780 2/20 0.32
ALOX15 P16050 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
ECE1 P42892 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
EPHX2 P34913 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
Aspartic Acid SCHEMBL8446543 0.90 GRIK1 (0.39)
SCHEMBL3261071 0.86 ECE1 (0.40) MMP9ALOX15MMP1MMP2MMP3
SCHEMBL12772454 0.86 GPR84 (0.34) GPR84MMP9MMP1MMP2MMP3
SCHEMBL3261068 0.86 ECE1 (0.40) MMP9ALOX15MMP1MMP2MMP3
SCHEMBL2692733 0.85 GPR84 (0.44) GPR84MMP9ALOX15MMP8MMP13
SCHEMBL20095023 0.83 CA2 (0.40) GPR84CA2EPHX2
SCHEMBL8450154 0.83 ITGB3 (0.34) ENPEPCA2
SCHEMBL3702886 0.83 CA2 (0.40) GPR84CA2EPHX2
SCHEMBL17773049 0.83 ITGB3 (0.34) ENPEPCA2
SCHEMBL5144359 0.82 GABRR1 (0.32) CA2

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-0831066-A1 Biodegradable Aspartic acid polymers for preventing scale formation in boilers NALCO CHEMICAL COMPANY (US) 1998-03-25 EP claimed