SCHEMBL11214944

SCHEMBL11214944

CCOC(=O)CC[C@H](NC(=O)c1ccccc1NC)C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
KMT2A Q03164 4/20 0.51
POLB P06746 2/20 0.51
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NOD2 Q9HC29 2/20 0.43
ATM Q13315 1/20 0.41
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL9381873 0.81 L3MBTL1 (0.51) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL6313152 0.81 L3MBTL1 (0.61) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL3706987 0.81 L3MBTL1 (0.61) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL11385831 0.80 L3MBTL1 (0.52) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL27584197 0.79 L3MBTL1 (0.65) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL7325137 0.78 CRBN (0.51) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL9555800 0.78 L3MBTL1 (0.58) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL6648896 0.78 L3MBTL1 (0.58) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL6648903 0.78 L3MBTL1 (0.58) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL2251586 0.78 L3MBTL1 (0.58) L3MBTL1KMT2APOLBKDM4EALDH1A1

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
US-4421913-A SOLVENT EXTRACTION THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1983-12-20 US disclosed