SCHEMBL10778667

SCHEMBL10778667

CCOC(=O)C(CC(=O)c1ccccc1)OC(=O)[C@H](CCCCN)NC(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA9 Q16790 2/20 0.37
CA2 P00918 1/20 0.37
LNPEP Q9UIQ6 2/20 0.37
ACE P12821 1/20 0.36
ERAP2 Q6P179 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
TLR2 O60603 1/20 0.36
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
CTSG P08311 2/20 0.35
CMA1 P23946 2/20 0.35

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
SCHEMBL6154070 0.86 LNPEP (0.45) LNPEPACEERAP2ERAP1TLR2
SCHEMBL3368639 0.79 KMT2A (0.43) KMT2AMEN1NPC1POLBNPSR1
SCHEMBL9856515 0.79 KMT2A (0.43) KMT2AMEN1NPC1POLBNPSR1
SCHEMBL11537079 0.79 CPB2 (0.47) KMT2APOLB
SCHEMBL11537085 0.79 CPB2 (0.47) KMT2APOLB
SCHEMBL7864695 0.74 ITGB3 (0.50) LNPEPACEERAP2ERAP1CTSG
SCHEMBL5553739 0.74 ECE1 (0.46) LNPEPTLR2
Hydrochloric Acid SCHEMBL5548318 0.73 ECE1 (0.46) LNPEPTLR2
SCHEMBL1657139 0.71 CTSK (0.43) LNPEPERAP2ERAP1
SCHEMBL9856677 0.71 KMT2A (0.44) KMT2AMEN1NPC1POLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0239062-A2 N2-(1-carboxy-3-oxo-3-phenylpropyl)-L-Lysine compounds and their derivatives KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1987-09-30 EP disclosed