SCHEMBL9857149

SCHEMBL9857149

CC(C)C(=O)CC(C(C(=O)O)C(=O)O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PTGS1 P23219 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
SLC7A5 Q01650 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
SCHEMBL9857573 0.73 RNPEP (0.36) RNPEPALDH1A1SLC7A5
SCHEMBL13618644 0.70 MMP1 (0.33) RNPEPALDH1A1MMP1MMP3MMP9
SCHEMBL19913368 0.69 SLC1A3 (0.46) RNPEPMMP1MMP2MMP3MMP9
SCHEMBL9857827 0.68 SLC22A6 (0.33) MAPT
SCHEMBL2574576 0.67 GABRR1 (0.44) RNPEP
SCHEMBL26771564 0.67 CHRM1 (0.42) RNPEP
SCHEMBL8060386 0.66 SMN1; SMN2 (0.55) RNPEPALDH1A1MAPT
SCHEMBL8060390 0.66 SMN1; SMN2 (0.55) RNPEPALDH1A1MAPT
SCHEMBL5509970 0.66 SLC22A6 (0.39) MAPT
SCHEMBL13588557 0.66 SLC22A6 (0.39) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5072023-A Reacting lactone with ester anion to form cyclohexenone ester; oxidizing or dehydrogenating the intermediate E. R. SQUIBB & SONS, INC. (US) 1991-12-10 US disclosed
EP-0442495-A1 Process for preparing highly substituted phenyls E.R. SQUIBB & SONS, INC. (US) 1991-08-21 EP disclosed