SCHEMBL27279100

SCHEMBL27279100

N[C@@H](Cc1ccc(O)cc1)C(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.47
▸ SLC7A5 Q01650 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.44
▸ LNPEP Q9UIQ6 4/20 0.41
▸ ERAP2 Q6P179 3/20 0.41
▸ HTR2A P28223 1/20 0.39

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
SCHEMBL9052704 0.88 MMP2 (0.54) MMP2SLC7A5ALDH1A1HTR2A
SCHEMBL8933432 0.88 MMP2 (0.54) MMP2SLC7A5ALDH1A1HTR2A
SCHEMBL6559349 0.88 MMP2 (0.54) MMP2SLC7A5ALDH1A1HTR2A
SCHEMBL6559285 0.80 MMP2 (0.56) MMP2SLC7A5HTR2A
SCHEMBL6559288 0.80 MMP2 (0.56) MMP2SLC7A5HTR2A
SCHEMBL6890776 0.79 MEN1 (0.50) MMP2SLC7A5ALDH1A1ERAP2HTR2A
SCHEMBL10442659 0.79 SLC7A5 (0.51) SLC7A5LNPEPERAP2
Hydrochloric Acid SCHEMBL6890771 0.78 MC4R (0.49) MMP2ALDH1A1ERAP2HTR2A
SCHEMBL13396366 0.77 SLC7A5 (0.43) MMP2SLC7A5ALDH1A1LNPEPERAP2
SCHEMBL1047510 0.76 SLC7A5 (0.60) SLC7A5LNPEPERAP2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101801995-A Antibacterial peptide AMP THERAPEUTICS GMBH & CO KG 2010-08-11 — — CN claimed
CN-101801995-B Antibacterial peptide AMP THERAPEUTICS GMBH & CO KG 2013-10-30 — — CN disclosed
CN-102369210-A Antibacterial peptide AMP THERAPEUTICS GMBH & CO KG 2012-03-07 — — CN disclosed
CN-101801995-A Antibacterial peptide AMP THERAPEUTICS GMBH & CO KG 2010-08-11 — — CN disclosed
CN-101184769-A Diagnostic and therapeutic agents KARYON CTT LTD (FI) 2008-05-21 — — CN disclosed
CN-1010310-B Preparation method of anti-hyperlipidemia agent SMITH KLINE FRENCH LAB (GB) 1990-11-07 — — CN disclosed
CN-86100894-A Process for the preparation of compounds — 1986-09-03 — — CN disclosed
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