SCHEMBL8338013

SCHEMBL8338013

Cc1ccccc1NC(=O)C(NC(=O)OC(C)(C)C)C1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.58
TSHR P16473 1/20 0.56
AAK1 Q2M2I8 3/20 0.56
PYGL P06737 2/20 0.50
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
PKM P14618 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
REN P00797 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL8344791 1.00 KMT2A (0.58) KMT2ATSHRAAK1PYGLTAS1R3
SCHEMBL8346691 1.00 KMT2A (0.58) KMT2ATSHRAAK1PYGLTAS1R3
SCHEMBL38661620 0.88 AAK1 (0.66) KMT2ATSHRAAK1TAS1R3TAS1R1
SCHEMBL30807751 0.85 AAK1 (0.53) KMT2ATSHRAAK1MAPTREN
SCHEMBL6824922 0.84 KMT2A (0.63) KMT2ATSHRPYGLTAS1R3TAS1R1
SCHEMBL28898095 0.82 AAK1 (0.58) KMT2ATSHRAAK1PYGLTAS1R3
SCHEMBL8337536 0.81 HPN (0.58) KMT2AAAK1MAPT
SCHEMBL30807741 0.81 AAK1 (0.54) KMT2ATSHRAAK1MAPTL3MBTL1
SCHEMBL29231500 0.79 AAK1 (0.52) KMT2ATSHRAAK1PYGLTAS1R3
SCHEMBL30807770 0.78 AAK1 (0.58) KMT2ATSHRAAK1MAPT

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
WO-2004022528-A2 ARYLGLYCINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 WO disclosed