SCHEMBL6586336

SCHEMBL6586336

C=COC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.58
PKM P14618 1/20 0.58
PTGS1 P23219 1/20 0.58
XIAP P98170 1/20 0.58
SLC7A5 Q01650 1/20 0.58
SLC15A1 P46059 3/20 0.50
LTA4H P09960 1/20 0.47
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
HDAC8 Q9BY41 2/20 0.45
SRR Q9GZT4 2/20 0.45
CTSC P53634 1/20 0.43
CYP1A2 P05177 1/20 0.43
EPHX1 P07099 1/20 0.42
TYR P14679 1/20 0.42

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
SCHEMBL6593251 1.00 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL5793057 0.85 SLC7A5 (0.57) SLC7A5HDAC8
SCHEMBL17229173 0.85 SLC7A5 (0.41) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL5793058 0.85 SLC7A5 (0.57) SLC7A5HDAC8
SCHEMBL215141 0.85 SLC7A5 (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL4421753 0.85 SLC7A5 (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL20873690 0.83 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
Dl-Phenylalanine SCHEMBL28052862 0.83 SLC7A5 (0.67) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL2785098 0.82 SLC7A5 (0.70) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1692431 0.82 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040208883-A1 Method for preparing ester linked peptide-carbohydrate conjugates ISIS INNOVATION LIMITED (GB) 2004-10-21 US claimed
EP-1414988-A1 METHOD FOR PREPARING ESTER LINKED PEPTIDE-CARBOHYDRATE CONJUGATES ISIS INNOVATION LIMITED (GB) 2004-05-06 EP claimed
WO-2003057896-A1 METHODS FOR PREPARING ANTHRACYCLINONE DERIVATIVES AND ANTHRACYCLINONE DERIVATIVES PER SE ALBANY MOLECULAR RESEARCH, INC. (US) 2003-07-17 WO claimed
WO-2003014371-A1 METHOD FOR PREPARING ESTER LINKED PEPTIDE-CARBOHYDRATE CONJUGATES ISIS INNOVATION LIMITED (GB) 2003-02-20 WO claimed
US-10208220-B2 Non-Newtonian photo-curable ink composition HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2019-02-19 US disclosed
US-20170260406-A1 NON-NEWTONIAN PHOTO-CURABLE INK COMPOSITION HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2017-09-14 US disclosed
WO-2016048396-A1 NON-NEWTONIAN PHOTO-CURABLE INK COMPOSITION HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2016-03-31 WO disclosed
US-20040208883-A1 Method for preparing ester linked peptide-carbohydrate conjugates ISIS INNOVATION LIMITED (GB) 2004-10-21 US disclosed
EP-1414988-A1 METHOD FOR PREPARING ESTER LINKED PEPTIDE-CARBOHYDRATE CONJUGATES ISIS INNOVATION LIMITED (GB) 2004-05-06 EP disclosed
WO-2003057896-A1 METHODS FOR PREPARING ANTHRACYCLINONE DERIVATIVES AND ANTHRACYCLINONE DERIVATIVES PER SE ALBANY MOLECULAR RESEARCH, INC. (US) 2003-07-17 WO disclosed
WO-2003014371-A1 METHOD FOR PREPARING ESTER LINKED PEPTIDE-CARBOHYDRATE CONJUGATES ISIS INNOVATION LIMITED (GB) 2003-02-20 WO disclosed