SCHEMBL31534656

SCHEMBL31534656

COC(=O)C1C(=O)C=CC1(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNTT P04053 3/20 0.51
POLB P06746 1/20 0.51
POLA1 P09884 1/20 0.51
MAPT P10636 4/20 0.36
GAA P10253 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 5/20 0.34
HTT P42858 1/20 0.34
TSHR P16473 2/20 0.34
KMT2A Q03164 4/20 0.33
BRD4 O60885 1/20 0.33
MEN1 O00255 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
THRB P10828 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 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
SCHEMBL28681787 0.80 MAPK1 (0.41) DNTTPOLBPOLA1MAPTGAA
SCHEMBL31534654 0.80 DNTT (0.41) DNTTPOLBPOLA1MAPTGAA
SCHEMBL31534652 0.80 DNTT (0.41) DNTTPOLBPOLA1MAPTGAA
SCHEMBL29358967 0.78 DNTT (0.34) DNTTPOLBPOLA1
SCHEMBL31534658 0.76 ALDH1A1 (0.40) POLBMAPTGAAALDH1A1TSHR
SCHEMBL8380888 0.72 DNTT (0.30) DNTTPOLBPOLA1
SCHEMBL858959 0.69 DNTT (0.38) DNTTPOLBPOLA1ALDH1A1HTT
SCHEMBL29275518 0.67 DNTT (0.37) DNTTPOLBPOLA1MAPTGAA
SCHEMBL17322451 0.66 ALDH1A1 (0.40) DNTTPOLBPOLA1ALDH1A1HTT
SCHEMBL8662496 0.65 MAPT (0.44) MAPTGAANPSR1ALDH1A1HTT

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-113968786-B Process for preparing two methyl substituted 2-oxo-3-cyclopentene-1-carboxylate compounds and dicarboxylic acid ester compounds for preparing same 信越化学工业株式会社 2025-03-28 CN disclosed