SCHEMBL31534652

SCHEMBL31534652

CCOC(=O)C1C(=O)C=CC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNTT P04053 2/20 0.41
POLB P06746 2/20 0.41
POLA1 P09884 1/20 0.41
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 3/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 3/20 0.37
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
TP53 P04637 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL31534654 1.00 DNTT (0.41) DNTTPOLBPOLA1ALDH1A1MEN1
SCHEMBL31534656 0.80 DNTT (0.51) DNTTPOLBPOLA1ALDH1A1MEN1
SCHEMBL2132797 0.75 ALDH1A1 (0.36) POLBALDH1A1MEN1KMT2AKDM4E
SCHEMBL24220059 0.74 ALDH1A1 (0.41) POLBALDH1A1MEN1KMT2AKDM4E
SCHEMBL19548901 0.72 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL11526857 0.72 LMNA (0.33) POLBALDH1A1MEN1KMT2AKDM4E
SCHEMBL31534658 0.72 ALDH1A1 (0.40) POLBALDH1A1KDM4EGAAMAPT
SCHEMBL30311955 0.70 LMNA (0.50) ALDH1A1HSD17B10TSHRLMNATP53
SCHEMBL8380888 0.68 DNTT (0.30) DNTTPOLBPOLA1
SCHEMBL27992001 0.68 DNTT (0.42) DNTTPOLBALDH1A1MEN1KMT2A

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