SCHEMBL11050892

SCHEMBL11050892

CC(C)(N)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.45
CTSL P07711 1/20 0.44
GHSR Q92847 6/20 0.43
F10 P00742 1/20 0.42
PRSS1 P07477 1/20 0.42
CCKBR P32239 2/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40

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
Trifluoroacetic Acid SCHEMBL11051491 0.94 CTSL (0.45) ALDH1A1MEN1HPGDKMT2ASIRT2
Trifluoroacetic Acid SCHEMBL11566608 0.94 CTSL (0.45) ALDH1A1MEN1HPGDKMT2ASIRT2
SCHEMBL10887447 0.85 PPARA (0.53) ALDH1A1MEN1HPGDKMT2ASIRT2
SCHEMBL14997847 0.85 PPARA (0.53) ALDH1A1MEN1HPGDKMT2ASIRT2
SCHEMBL11599337 0.85 PPARA (0.53) ALDH1A1MEN1HPGDKMT2ASIRT2
Hydrochloric Acid SCHEMBL11597785 0.84 PPARA (0.52) ALDH1A1MEN1HPGDKMT2ASIRT2
SCHEMBL4910499 0.84 CTSL (0.60) ALDH1A1MEN1HPGDKMT2ASIRT2
SCHEMBL4910504 0.84 CTSL (0.60) ALDH1A1MEN1HPGDKMT2ASIRT2
SCHEMBL10473510 0.82 ALDH1A1 (0.47) ALDH1A1MEN1HPGDKMT2ASIRT2
SCHEMBL20583780 0.82 CTSL (0.53) ALDH1A1MEN1HPGDKMT2ASIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-54063016-A None JP disclosed
US-4430265-A IMMUNOSTIMULATORY ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-02-07 US disclosed
EP-0002677-B1 GLUCOSAMINE-PEPTIDE DERIVATIVES AND THEIR PHARMACEUTICAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 1982-10-13 EP disclosed
EP-0002677-A1 Glucosamine-peptide derivatives and their pharmaceutical compositions Takeda Chemical Industries, Ltd. (JP) 1979-07-11 EP disclosed
JP-S5463016-A GLUCOSAMINE DERIVATIVES AND THEIR PREPARATION TAKEDA CHEM IND LTD 1979-05-21 JP disclosed
JP-S05463016-A 0001-01-01 JP disclosed