SCHEMBL4187096

SCHEMBL4187096

Cc1cc(=O)oc2cc(N)ccc12.NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
GLA P06280 1/20 0.54
GAA P10253 1/20 0.54
HPGD P15428 1/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
CA9 Q16790 1/20 0.54
HSD17B10 Q99714 1/20 0.54
IGLV6-57 P01721 1/20 0.53
RAB9A P51151 2/20 0.52
PKM P14618 1/20 0.49
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDR P35968 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NFKB1 P19838 1/20 0.45

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 SCHEMBL8520013 0.93 ALDH1A1 (0.47) ALDH1A1KDM4ECA12CA1GLA
Alanyl-Dl-Phenylalanine SCHEMBL7219585 0.88 IGLV6-57 (0.53) ALDH1A1KDM4ECA12CA1GLA
SCHEMBL7213225 0.85 IGLV6-57 (0.50) ALDH1A1KDM4ECA12CA1GLA
SCHEMBL4187352 0.85 IGLV6-57 (0.50) ALDH1A1KDM4ECA12CA1GLA
SCHEMBL6245154 0.84 ALDH1A1 (0.60) ALDH1A1KDM4ECA12CA1GLA
Hydrochloric Acid SCHEMBL4187358 0.83 ALDH1A1 (0.59) ALDH1A1KDM4ECA12CA1GLA
SCHEMBL29543904 0.83 RAB9A (0.64) ALDH1A1KDM4ECA12CA1GLA
Phenylalanine SCHEMBL2543905 0.83 ALDH1A1 (0.61) ALDH1A1KDM4ECA12CA1GLA
Dl-Phenylalanine SCHEMBL27758713 0.83 ALDH1A1 (0.61) ALDH1A1KDM4ECA12CA1GLA
Glycine SCHEMBL8520459 0.82 ALDH1A1 (0.56) ALDH1A1KDM4ECA12CA1GLA

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 15 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-1352083-A2 COMPOSITIONS AND METHODS FOR DETECTING TARGET MICROORGANISMS IN A SAMPLE BioControl Systems, Inc. (US) 2003-10-15 EP claimed
US-20020058298-A1 Compositions and methods for detecting target microorganisms in a sample BIOCONTROL SYSTEM, INC. (US) 2002-05-16 US claimed
WO-2002018625-A2 COMPOSITIONS AND METHODS FOR DETECTING TARGET MICROORGANISMS IN A SAMPLE BIOCONTROL SYSTEMS, INC. (US) 2002-03-07 WO claimed
US-6022698-A Method and components for the detection of yeasts and/or molds in a sample IDEXX LABORATORIES, INCORPORATED (US) 2000-02-08 US claimed
EP-0946746-A1 METHOD AND COMPONENTS FOR THE DETECTION OF YEASTS AND/OR MOLDS IN A SAMPLE IDEXX LABORATORIES, INC. (US) 1999-10-06 EP claimed
US-5854011-A Method and components for the detection of yeasts and/or molds in a sample IDEXX LABORATORIES INCORPORATED (US) 1998-12-29 US claimed
WO-1998027223-A1 METHOD AND COMPONENTS FOR THE DETECTION OF YEASTS AND/OR MOLDS IN A SAMPLE IDEXX LABORATORIES, INCORPORATED (US) 1998-06-25 WO claimed
US-7560246-B2 Compositions and methods for detecting target microorganisms in a sample BIOCONTROL SYSTEMS, INC. (US) 2009-07-14 US disclosed
EP-0870054-B1 METHOD AND COMPOSITION FOR DETECTING BACTERIAL CONTAMINATION IN FOOD PRODUCTS BIOCONTROL SYSTEMS INC (US) 2008-07-30 EP disclosed
EP-1352083-B1 COMPOSITIONS AND METHODS FOR DETECTING TARGET MICROORGANISMS IN A SAMPLE BIOCONTROL SYSTEMS INC (US) 2005-10-26 EP disclosed
EP-1352083-A2 COMPOSITIONS AND METHODS FOR DETECTING TARGET MICROORGANISMS IN A SAMPLE BioControl Systems, Inc. (US) 2003-10-15 EP disclosed
US-20020058298-A1 Compositions and methods for detecting target microorganisms in a sample BIOCONTROL SYSTEM, INC. (US) 2002-05-16 US disclosed
WO-2002018625-A2 COMPOSITIONS AND METHODS FOR DETECTING TARGET MICROORGANISMS IN A SAMPLE BIOCONTROL SYSTEMS, INC. (US) 2002-03-07 WO disclosed
US-5854011-A Method and components for the detection of yeasts and/or molds in a sample IDEXX LABORATORIES INCORPORATED (US) 1998-12-29 US disclosed