SCHEMBL4757393

SCHEMBL4757393

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)O.Cc1cc(=O)oc2cc(N)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP1LC3B Q9GZQ8 1/20 0.42
MAP1LC3A Q9H492 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA9 Q16790 2/20 0.42
PSEN1 P49768 3/20 0.39
PSEN2 P49810 3/20 0.39
APH1B Q8WW43 3/20 0.39
NCSTN Q92542 3/20 0.39
APH1A Q96BI3 3/20 0.39
PSENEN Q9NZ42 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
BACE1 P56817 7/20 0.38

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
SCHEMBL29543716 0.88 CA12 (0.52) MAP1LC3BMAP1LC3ACA12CA1CA9
SCHEMBL1038137 0.88 CA12 (0.52) MAP1LC3BMAP1LC3ACA12CA1CA9
Acetic Acid SCHEMBL29692693 0.87 CA12 (0.50) MAP1LC3BMAP1LC3ACA12CA1CA9
SCHEMBL4182456 0.86 ALDH1A1 (0.46) CA12CA1CA9KDM4EALDH1A1
SCHEMBL7213222 0.82 ERAP2 (0.50) CA12CA1CA9KDM4EALDH1A1
SCHEMBL990344 0.77 KDM4E (0.57) CA12CA1CA9KDM4EALDH1A1
Acetic Acid SCHEMBL7218405 0.77 ALDH1A1 (0.53) CA12CA1CA9KDM4EALDH1A1
SCHEMBL29131383 0.77 CA12 (0.47) MAP1LC3BMAP1LC3ACA12CA1CA9
SCHEMBL4626505 0.76 GHSR (0.46) CA12CA1CA9KDM4EALDH1A1
SCHEMBL38662206 0.76 CTSK (0.52) FNTAFNTB

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-0870054-B1 METHOD AND COMPOSITION FOR DETECTING BACTERIAL CONTAMINATION IN FOOD PRODUCTS BIOCONTROL SYSTEMS INC (US) 2008-07-30 EP disclosed