SCHEMBL28816367

SCHEMBL28816367

NCCCC(C(=O)O)N(CCO)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 4/20 0.37
GSR P00390 1/20 0.35
RNPEP Q9H4A4 1/20 0.34
LMNA P02545 2/20 0.32
THRB P10828 2/20 0.32
BLM P54132 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
GABRR3 A8MPY1 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
HDAC3 O15379 1/20 0.32
GABBR2 O75899 1/20 0.32
CYP1A2 P05177 1/20 0.32
GABRA1 P14867 1/20 0.32
TSHR P16473 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRR1 P24046 1/20 0.32
GABRB3 P28472 1/20 0.32

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
SCHEMBL364359 0.90 GABRR1 (0.35) LMNABLMTSHRGABRR1ALOX15
SCHEMBL4689784 0.84 GSR (0.47) CPB2GSRRNPEPLMNATHRB
SCHEMBL4689786 0.84 GSR (0.47) CPB2GSRRNPEPLMNATHRB
SCHEMBL158632 0.82 GSR (0.48) CPB2GSRRNPEPLMNATHRB
SCHEMBL14890176 0.82 GSR (0.48) CPB2GSRRNPEPLMNATHRB
SCHEMBL24075891 0.82 GSR (0.48) CPB2GSRRNPEPLMNATHRB
SCHEMBL382017 0.82 GSR (0.48) CPB2GSRRNPEPLMNATHRB
Water SCHEMBL1007984 0.81 GSR (0.47) CPB2GSRRNPEPLMNATHRB
SCHEMBL7107141 0.81 GSR (0.47) CPB2GSRRNPEPLMNATHRB
SCHEMBL388186 0.81 GSR (0.47) CPB2GSRRNPEPLMNATHRB

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
CN-104257513-A Cosmetic Preparation, Method For Producing Same, Composition For Cosmetic Preparations, Cosmetic Preparation Containing The Composition For Cosmetic Preparations And Method For Producing Same, And Cleanser For Industrial Use NISSHIN OILLIO GROUP LTD 2015-01-07 CN disclosed