SCHEMBL9856677

SCHEMBL9856677

CCOC(=O)C(CC(=O)c1ccccc1)NC(CCCCNC(=O)C(F)(F)F)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
NPSR1 Q6W5P4 2/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
SIRT2 Q8IXJ6 2/20 0.38
SIRT1 Q96EB6 2/20 0.38
TGM2 P21980 1/20 0.38
EPHX1 P07099 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
RRM1 P23921 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36

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
SCHEMBL3368632 1.00 KMT2A (0.44) KMT2AMEN1NPC1NPSR1POLB
SCHEMBL5548291 0.91 SIRT2 (0.45) KMT2AMEN1NPC1ALDH1A1SIRT2
SCHEMBL901541 0.86 MME (0.45) POLBLMNASIRT2SIRT1TGM2
SCHEMBL901542 0.86 MME (0.45) POLBLMNASIRT2SIRT1TGM2
SCHEMBL15101628 0.86 MME (0.45) POLBLMNASIRT2SIRT1TGM2
SCHEMBL5346764 0.82 SMN1; SMN2 (0.46) KMT2AMEN1POLBLMNASIRT2
SCHEMBL3368639 0.78 KMT2A (0.43) KMT2AMEN1NPC1NPSR1POLB
SCHEMBL9856515 0.78 KMT2A (0.43) KMT2AMEN1NPC1NPSR1POLB
SCHEMBL21373191 0.78 MME (0.46) KMT2APOLBLMNASIRT2SIRT1
SCHEMBL30313716 0.78 MME (0.46) KMT2APOLBLMNASIRT2SIRT1

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-B1 N2-(1-CARBOXY-3-OXO-3-PHENYLPROPYL)-L-LYSINE COMPOUNDS AND THEIR DERIVATIVES KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-05-29 EP disclosed