SCHEMBL8323771

SCHEMBL8323771

CC(C)[C@@H](NC(=O)[C@H](CC(=O)O)NCCC(C)(C)C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RRM1 P23921 2/20 0.37
RRM2 P31350 2/20 0.37
RRM2B Q7LG56 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MME P08473 3/20 0.35
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CASP3 P42574 3/20 0.33
CASP8 Q14790 3/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
GNPAT O15228 1/20 0.33
PLA2G2A P14555 1/20 0.33
PLA2G5 P39877 1/20 0.33
ENPEP Q07075 3/20 0.32
CCKBR P32239 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
SCHEMBL7099887 0.80 GRN (0.39) RRM1RRM2RRM2BMMEGNPAT
SCHEMBL5335559 0.80 GRN (0.39) RRM1RRM2RRM2BMMEGNPAT
Hydrochloric Acid SCHEMBL7101089 0.78 GRN (0.38) RRM1RRM2RRM2BMMEGNPAT
SCHEMBL14926782 0.78 SMN1; SMN2 (0.39) SMN1; SMN2CTSSCTSKALDH1A1POLB
SCHEMBL14930543 0.78 SMN1; SMN2 (0.39) SMN1; SMN2CTSSCTSKALDH1A1POLB
SCHEMBL29874685 0.77 MME (0.40) SMN1; SMN2MMECASP3CASP8CASP1
SCHEMBL8420112 0.77 CASP3 (0.46) CASP3CASP8CASP1CASP7
SCHEMBL759233 0.74 MME (0.52) MME
SCHEMBL5691576 0.74 MME (0.52) MME
SCHEMBL6904234 0.74 MME (0.52) MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0818463-B1 Aspartyl dipeptide amide derivatives and sweeteners AJINOMOTO KK (JP) 1999-09-29 EP disclosed
US-5958496-A LOW CALORIE SWEETENING FOR FOOD, BEVERAGES; TASTE, STABILITY AJINOMOTO CO., INC. (JP) 1999-09-28 US disclosed
EP-0818463-A1 Aspartyl dipeptide amide derivatives and sweeteners Ajinomoto Co., Ltd. (JP) 1998-01-14 EP disclosed