SCHEMBL7213222

SCHEMBL7213222

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 2/20 0.50
ERAP1 Q9NZ08 1/20 0.50
LNPEP Q9UIQ6 1/20 0.50
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 5/20 0.47
HPGD P15428 5/20 0.47
HSD17B10 Q99714 4/20 0.47
GLA P06280 2/20 0.47
GAA P10253 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
CA9 Q16790 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 2/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SORT1 Q99523 1/20 0.41
ALDH2 P05091 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
SCHEMBL4182456 0.91 ALDH1A1 (0.46) ERAP2ERAP1LNPEPALDH1A1KDM4E
Acetic Acid SCHEMBL7218405 0.85 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL11474747 0.85 TDP1 (0.48) ERAP2ERAP1LNPEPALDH1A1KDM4E
SCHEMBL6045246 0.85 TDP1 (0.48) ERAP2ERAP1LNPEPALDH1A1KDM4E
SCHEMBL4626505 0.84 GHSR (0.46) ERAP2LNPEPALDH1A1KDM4EHPGD
Lysine SCHEMBL6425927 0.83 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL4757393 0.82 MAP1LC3B (0.42) ALDH1A1KDM4EHPGDHSD17B10GLA
Leucine SCHEMBL1776947 0.82 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDHSD17B10GLA
Leucine SCHEMBL27779804 0.82 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDHSD17B10GLA
Leucine SCHEMBL19695473 0.82 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDHSD17B10GLA

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-1352083-A2 COMPOSITIONS AND METHODS FOR DETECTING TARGET MICROORGANISMS IN A SAMPLE BioControl Systems, Inc. (US) 2003-10-15 EP claimed
WO-2002018625-A2 COMPOSITIONS AND METHODS FOR DETECTING TARGET MICROORGANISMS IN A SAMPLE BIOCONTROL SYSTEMS, INC. (US) 2002-03-07 WO claimed
EP-1352083-A2 COMPOSITIONS AND METHODS FOR DETECTING TARGET MICROORGANISMS IN A SAMPLE BioControl Systems, Inc. (US) 2003-10-15 EP disclosed
WO-2002018625-A2 COMPOSITIONS AND METHODS FOR DETECTING TARGET MICROORGANISMS IN A SAMPLE BIOCONTROL SYSTEMS, INC. (US) 2002-03-07 WO disclosed