SCHEMBL28470797

SCHEMBL28470797

C=CC(=O)OC(=O)C1CCCCC1C(=O)OC(=O)C=C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.41
CYP3A4 P08684 3/20 0.41
ALDH1A1 P00352 5/20 0.32
HIF1A Q16665 3/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 4/20 0.31
HSD17B10 Q99714 1/20 0.31
EPHX1 P07099 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
SCHEMBL16161190 0.92 TP53 (0.37) TP53CYP3A4ALDH1A1KMT2A
SCHEMBL27635533 0.91 SLC6A2 (0.37) TP53CYP3A4KMT2ASMN1; SMN2
SCHEMBL16106877 0.86 TP53 (0.44) TP53CYP3A4ALDH1A1KMT2ATSHR
SCHEMBL26977172 0.85 TSHR (0.50) TP53CYP3A4ALDH1A1HIF1AMAPK1
SCHEMBL27197216 0.83 TP53 (0.41) TP53CYP3A4ALDH1A1HIF1AMAPK1
SCHEMBL7261760 0.83 CES2 (0.37) TP53CYP3A4ALDH1A1HIF1AKMT2A
SCHEMBL30776875 0.83 CES2 (0.37) TP53CYP3A4ALDH1A1HIF1AKMT2A
SCHEMBL19283286 0.81 CES2 (0.41) ALDH1A1KMT2ASMN1; SMN2TSHR
SCHEMBL21917208 0.79 KMT2A (0.40) TP53CYP3A4ALDH1A1HIF1AKMT2A
SCHEMBL16819123 0.79 KMT2A (0.40) TP53CYP3A4ALDH1A1HIF1AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108463493-B Polymeric substrate having a surface with reduced biomolecule adhesion and thermoplastic articles of such substrate SIO2医药产品公司 2021-10-15 CN disclosed
CN-111971354-A Foamed sheet 日东电工株式会社 2020-11-20 CN disclosed
CN-111902506-A Foamed sheet 日东电工株式会社 2020-11-06 CN disclosed
CN-111902505-A Foamed sheet 日东电工株式会社 2020-11-06 CN disclosed