SCHEMBL6245154

SCHEMBL6245154

C[C@H](NC(=O)CN)C(=O)O.Cc1cc(=O)oc2cc(N)ccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.60
KDM4E B2RXH2 9/20 0.60
HPGD P15428 7/20 0.60
HSD17B10 Q99714 6/20 0.60
CA12 O43570 4/20 0.60
CA9 Q16790 4/20 0.60
GLA P06280 3/20 0.60
GAA P10253 3/20 0.60
CA1 P00915 3/20 0.60
CASP1 P29466 2/20 0.60
CASP7 P55210 2/20 0.60
ALDH2 P05091 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 2/20 0.46
RAB9A P51151 2/20 0.46
AR P10275 1/20 0.46
MAPK1 P28482 1/20 0.44

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
Hydrochloric Acid SCHEMBL4187358 0.99 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDHSD17B10CA12
Glycine SCHEMBL8520459 0.97 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL4187096 0.84 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10CA12
Glycine SCHEMBL335759 0.83 ALDH1A1 (0.77) ALDH1A1KDM4EHPGDHSD17B10CA12
D-Alanine SCHEMBL4187196 0.82 ALDH1A1 (0.75) ALDH1A1KDM4EHPGDHSD17B10CA12
Alanine SCHEMBL27923846 0.82 ALDH1A1 (0.75) ALDH1A1KDM4EHPGDHSD17B10CA12
Glycine SCHEMBL4627607 0.82 ALDH1A1 (0.75) ALDH1A1KDM4EHPGDHSD17B10CA12
Glycine SCHEMBL4176892 0.82 ALDH1A1 (0.75) ALDH1A1KDM4EHPGDHSD17B10CA12
Alanine SCHEMBL335764 0.82 ALDH1A1 (0.75) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL6424932 0.82 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDHSD17B10CA12

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-B1 COMPOSITIONS AND METHODS FOR DETECTING TARGET MICROORGANISMS IN A SAMPLE BIOCONTROL SYSTEMS INC (US) 2005-10-26 EP claimed
EP-0946746-B1 METHOD AND MEDIA FOR THE DETECTION OF YEASTS AND/OR MOLDS IN A SAMPLE BIOCONTROL SYSTEMS INC (US) 2005-03-02 EP 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