SCHEMBL8006884

SCHEMBL8006884

CC(C)[C@H](N)C(=O)NCC(=O)N(C(=O)OCc1ccccc1)[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
ACHE P22303 1/20 0.37
PPIA P62937 2/20 0.37
SSTR3 P32745 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
PPIF P30405 1/20 0.35
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
LTA4H P09960 1/20 0.34
RAB9A P51151 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34

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
Acetic Acid SCHEMBL9450665 0.99 ALDH1A1 (0.36) ALDH1A1ACHEPPIASSTR3MEN1
Hydrochloric Acid SCHEMBL7768946 0.91 DPP8 (0.38) ALDH1A1ACHEPPIASSTR3MEN1
SCHEMBL2007479 0.89 PPIA (0.43) ALDH1A1ACHEPPIASSTR3MEN1
Hydrochloric Acid SCHEMBL10946501 0.88 ALDH1A1 (0.41) ALDH1A1ACHEPPIASSTR3MEN1
SCHEMBL8064963 0.88 KMT2A (0.36) ALDH1A1ACHEMEN1MAPTKMT2A
SCHEMBL10689300 0.87 CYP1A2 (0.37) ALDH1A1MAPTLTA4HRAB9ASIRT2
SCHEMBL5052608 0.86 KMT2A (0.41) ALDH1A1ACHEPPIASSTR3MEN1
SCHEMBL11016662 0.82 PPIA (0.42) ALDH1A1ACHEPPIASSTR3MEN1
SCHEMBL10689957 0.82 LMNA (0.34) MEN1MAPTKMT2ASIRT2SIRT1
SCHEMBL5052635 0.82 PPIA (0.42) ALDH1A1ACHEPPIASSTR3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1007964-A4 FORMATION AND USE OF PRION PROTEIN (PrP) COMPLEXES UNIV CALIFORNIA (US) 2000-07-26 EP disclosed
EP-1007964-A1 FORMATION AND USE OF PRION PROTEIN (PrP) COMPLEXES The Regents of the University of California (US) 2000-06-14 EP disclosed
US-5750361-A COMPLEXING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-05-12 US disclosed
WO-1997016728-A1 FORMATION AND USE OF PRION PROTEIN (PrP) COMPLEXES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-05-09 WO disclosed