SCHEMBL6587725

SCHEMBL6587725

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

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.54
NPSR1 Q6W5P4 1/20 0.52
NAALAD2 Q9Y3Q0 1/20 0.51
ACE P12821 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
CPA1 P15085 2/20 0.49
ACE2 Q9BYF1 2/20 0.49
FPR2 P25090 5/20 0.48
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PTPN1 P18031 1/20 0.48

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
SCHEMBL30090841 0.89 MME (0.61) MMENPSR1NAALAD2ACEL3MBTL1
SCHEMBL28353707 0.89 MME (0.61) MMENPSR1NAALAD2ACEL3MBTL1
SCHEMBL6589260 0.83 CASP1 (0.43) L3MBTL1
SCHEMBL4582283 0.82 MME (0.54) MMENPSR1NAALAD2ACEL3MBTL1
SCHEMBL627437 0.81 MME (0.59) MMENPSR1NAALAD2ACEL3MBTL1
SCHEMBL205548 0.81 MME (0.59) MMENPSR1NAALAD2ACEL3MBTL1
SCHEMBL754129 0.81 MME (0.59) MMENPSR1NAALAD2ACEL3MBTL1
Benzene SCHEMBL27550555 0.81 MME (0.59) MMENPSR1NAALAD2ACEL3MBTL1
Benzene SCHEMBL27569477 0.81 MME (0.59) MMENPSR1NAALAD2ACEL3MBTL1
Benzene SCHEMBL27550557 0.81 MME (0.59) MMENPSR1NAALAD2ACEL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414988-A1 METHOD FOR PREPARING ESTER LINKED PEPTIDE-CARBOHYDRATE CONJUGATES ISIS INNOVATION LIMITED (GB) 2004-05-06 EP disclosed
WO-2003014371-A1 METHOD FOR PREPARING ESTER LINKED PEPTIDE-CARBOHYDRATE CONJUGATES ISIS INNOVATION LIMITED (GB) 2003-02-20 WO disclosed