SCHEMBL461495

SCHEMBL461495

CCOC(=O)[C@@H](CCC(N)=O)NC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
KMT2A Q03164 3/20 0.46
POLB P06746 1/20 0.46
CAD P27708 1/20 0.45
ALOX15 P16050 2/20 0.40
NOD1 Q9Y239 2/20 0.37
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
BMP1 P13497 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL23629663 0.85 L3MBTL1 (0.49) L3MBTL1KMT2APOLBCADALOX15
SCHEMBL23155981 0.85 FOLH1 (0.45) L3MBTL1KMT2AALOX15BMP1BLM
SCHEMBL7608495 0.84 L3MBTL1 (0.56) L3MBTL1KMT2APOLBCADALOX15
SCHEMBL28539939 0.83 L3MBTL1 (0.50) L3MBTL1KMT2APOLBCADNOD1
SCHEMBL17343482 0.83 L3MBTL1 (0.50) L3MBTL1KMT2APOLBCADALOX15
SCHEMBL22316082 0.83 L3MBTL1 (0.50) L3MBTL1KMT2APOLBCADNOD1
SCHEMBL13099456 0.83 L3MBTL1 (0.69) L3MBTL1KMT2APOLBCADNOD1
SCHEMBL13108405 0.83 L3MBTL1 (0.69) L3MBTL1KMT2APOLBCADNOD1
SCHEMBL468758 0.82 L3MBTL1 (0.54) L3MBTL1KMT2APOLBCADALOX15
SCHEMBL468757 0.82 L3MBTL1 (0.54) L3MBTL1KMT2APOLBCADALOX15

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-2595960-A1 SALT AND SOLVATES OF A TETRAHYDROISOQUINOLINE DERIVATIVE Spinifex Pharmaceuticals Pty Ltd (AU) 2013-05-29 EP disclosed
WO-2012010843-A1 SALT AND SOLVATES OF A TETRAHYDROISOQUINOLINE DERIVATIVE SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2012-01-26 WO disclosed