SCHEMBL14334652

SCHEMBL14334652

NC(CCC[C@H](N)C(=O)O)c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KIF11 P52732 4/20 0.42
GSR P00390 1/20 0.42
CYP2C19 P33261 1/20 0.41
GRM2 Q14416 1/20 0.41
GRM3 Q14832 1/20 0.41
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
ALOX5 P09917 1/20 0.40
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
SLC7A5 Q01650 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
KEAP1 Q14145 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
SCHEMBL14335054 0.78 KIF11 (0.40) POLBKMT2ATDP1KIF11GSR
SCHEMBL11544964 0.78 HPGD (0.44) POLBKMT2ATDP1GSRCYP2C19
SCHEMBL9130354 0.77 KIF11 (0.39) POLBKMT2ATDP1KIF11CYP2C19
SCHEMBL9130364 0.77 SLC1A3 (0.40) POLBKMT2ATDP1KIF11CYP2C19
SCHEMBL23695275 0.76 CA2 (0.43) CYP2C19ALOX5SLC7A5CES2CES1
SCHEMBL2481473 0.76 ALOX5 (0.44) POLBKMT2ACYP2C19SLC1A3SLC1A2
SCHEMBL2030179 0.76 ALOX5 (0.44) POLBKMT2ACYP2C19SLC1A3SLC1A2
SCHEMBL3351265 0.76 ALOX5 (0.44) POLBKMT2ACYP2C19SLC1A3SLC1A2
SCHEMBL8955402 0.76 NOS2 (0.42) POLBKMT2ATDP1GSRCYP2C19
SCHEMBL4640223 0.75 ALOX5 (0.42) POLBKMT2ACYP2C19SLC1A3SLC1A2

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-2723856-A2 INCORPORATION OF SUBSTITUTED LYSINES INTO POLYPEPTIDES Medical Research Council (GB) 2014-04-30 EP disclosed
WO-2012175924-A2 INCORPORATION OF SUBSTITUTED LYSINES INTO POLYPEPTIDES MEDICAL RESEARCH COUNCIL (GB) 2012-12-27 WO disclosed