SCHEMBL28314652

SCHEMBL28314652

CC(C(C(=O)O)C(=O)O)C(C)(C)C.[MgH2]

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
SLC7A5 Q01650 1/20 0.38
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
PTGS1 P23219 1/20 0.33
TSHR P16473 1/20 0.32
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30

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
SCHEMBL8734218 0.97 TP53 (0.40) TP53SLC7A5ALDH1A1MAPTPTGS1
SCHEMBL28314395 0.94 TP53 (0.38) TP53SLC7A5ALDH1A1MAPTPTGS1
SCHEMBL28314569 0.76 TP53 (0.47) TP53SLC7A5TSHRSLC1A3SLC1A2
SCHEMBL2464055 0.74 TP53 (0.40) TP53SLC7A5ALDH1A1MAPTPTGS1
SCHEMBL6872454 0.72 TP53 (0.38) TP53SLC7A5ALDH1A1
SCHEMBL22355731 0.72 TP53 (0.38) TP53SLC7A5ALDH1A1MAPTPTGS1
SCHEMBL9293324 0.72 TSHR (0.47) TP53SLC7A5ALDH1A1MAPTPTGS1
SCHEMBL593998 0.72 TP53 (0.50) TP53SLC7A5ALDH1A1TSHRSLC1A3
SCHEMBL20954001 0.71 ALDH1A1 (0.36) TP53SLC7A5ALDH1A1MAPTPTGS1
SCHEMBL5515350 0.70 DPP4 (0.37) TP53SLC7A5

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-110172019-A The metal salt of malonic acid as the nucleating additive for crystalline thermoplastic 印度石油有限公司 2019-08-27 CN disclosed