SCHEMBL29448215

SCHEMBL29448215

O=C(O)[C@H](Cc1ccccc1)NN[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ NAALAD2 Q9Y3Q0 2/20 0.42
▸ MMP2 P08253 5/20 0.41
▸ MMP9 P14780 4/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ADAMTS4 O75173 1/20 0.41
▸ MMP7 P09237 1/20 0.41
▸ MMP12 P39900 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ FOLH1 Q04609 1/20 0.40

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
SCHEMBL8255755 0.92 MME (0.50) MMENPSR1NAALAD2MMP2MMP9
SCHEMBL5870135 0.92 MME (0.50) MMENPSR1NAALAD2MMP2MMP9
SCHEMBL3540065 0.89 MME (0.44) MMENAALAD2L3MBTL1FOLH1
Hydrochloric Acid SCHEMBL30634622 0.88 CPB2 (0.34) —
SCHEMBL10826528 0.85 MME (0.52) MME
SCHEMBL466341 0.85 GAA (0.40) MMENAALAD2
SCHEMBL1643961 0.85 GAA (0.40) MMENAALAD2
SCHEMBL466340 0.85 GAA (0.40) MMENAALAD2
SCHEMBL31146592 0.84 MME (0.34) MME
SCHEMBL11763272 0.83 GNPAT (0.56) MMEMMP2MMP9MMP7MMP12

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-108064248-B Human anti-dipeptide repeat (DPR) antibodies 生物控股有限公司 2022-03-15 — — CN disclosed
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