SCHEMBL8601731

SCHEMBL8601731

NCC(=O)NC[C@H]1CC[C@H](C(=O)O)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.57
PLAT P00750 1/20 0.57
LMNA P02545 1/20 0.57
TDP1 Q9NUW8 1/20 0.48
KMT2A Q03164 2/20 0.43
CYP2D6 P10635 2/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ANPEP P15144 1/20 0.42
ENPEP Q07075 1/20 0.42
ARG1 P05089 1/20 0.42
CYP2C9 P11712 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 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
Hydrochloric Acid SCHEMBL8117093 0.98 PLG (0.55) PLGPLATLMNATDP1KMT2A
SCHEMBL1380295 0.88
SCHEMBL8598524 0.83 PLG (0.48) PLGPLATLMNATDP1KMT2A
SCHEMBL8598528 0.83 PLG (0.48) PLGPLATLMNATDP1KMT2A
SCHEMBL1270952 0.81 PLG (0.47) PLGPLATLMNATDP1KMT2A
SCHEMBL8596242 0.81 TDP1 (0.76) PLGPLATLMNATDP1KMT2A
SCHEMBL9795153 0.81 TDP1 (0.52) TDP1CYP2D6ALDH1A1ARG1EPHX1
SCHEMBL9795157 0.81 TDP1 (0.52) TDP1CYP2D6ALDH1A1ARG1EPHX1
SCHEMBL8596237 0.81 TDP1 (0.76) PLGPLATLMNATDP1KMT2A
Trifluoroacetic Acid SCHEMBL1998431 0.80 TDP1 (0.47) TDP1CYP2D6ALDH1A1KDM4EARG1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6072846-A None JP disclosed
EP-0585130-B1 External preparation for skin containing a depigmentation agent SHISEIDO CO LTD (JP) 1998-01-28 EP disclosed
US-5690914-A TRANEXAMIC ACID DERIVATIVES FOR DEPIGMENTATION SHISEIDO CO., LTD (JP) 1997-11-25 US disclosed
JP-H0672846-A SKIN EXTERNAL PREPARATION SHISEIDO CO LTD 1994-03-15 JP disclosed
EP-0585130-A2 External preparation for skin containing a depigmentation agent SHISEIDO COMPANY LIMITED (JP) 1994-03-02 EP disclosed