SCHEMBL25350353

SCHEMBL25350353

CC(C)C(=O)O.CC(C)COCC(C)C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
RNPEP Q9H4A4 1/20 0.39
SLC7A5 Q01650 1/20 0.39
TP53 P04637 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
Acetic Acid SCHEMBL5698774 0.86 TSHR (0.46) TSHRRNPEPSLC7A5TP53ALDH1A1
Succinic Acid SCHEMBL2961965 0.81 EGLN1 (0.47) TSHRLMNAKDM4E
SCHEMBL25660439 0.80 SLC7A5 (0.54) SLC7A5KMT2A
SCHEMBL1287364 0.80 SLC7A5 (0.54) SLC7A5KMT2A
SCHEMBL21526182 0.80 SLC7A5 (0.54) SLC7A5KMT2A
SCHEMBL26213846 0.80 MAPT (0.38) TSHRRNPEPSLC7A5TP53MMP1
Urea SCHEMBL8376677 0.80 TSHR (0.41) TSHRSLC7A5ALDH1A1LMNAL3MBTL1
Acetic Acid SCHEMBL3289518 0.79 TSHR (0.41) TSHRRNPEPSLC7A5ALDH1A1L3MBTL1
SCHEMBL9323851 0.79 LAP3 (0.50) RNPEPSLC7A5ALDH1A1MEN1LMNA
Methyl Alcohol SCHEMBL28414164 0.78 ALDH1A1 (0.38) TSHRALDH1A1L3MBTL1KDM4E

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
WO-2023149533-A1 FOOD PRODUCT SPOILAGE DETERMINATION METHOD, AND FOOD PRODUCT SPOILAGE DETERMINATION SYSTEM パナソニックIPマネジメント株式会社 2023-08-10 WO disclosed