SCHEMBL28632291

SCHEMBL28632291

CCCCc1cccc(C)c1C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
BID P55957 6/20 0.37
MCL1 Q07820 6/20 0.37
BCL2L1 Q07817 5/20 0.37
BAK1 Q16611 5/20 0.37
KAT8 Q9H7Z6 2/20 0.37
SAE1 Q9UBE0 2/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
EP300 Q09472 1/20 0.37
KAT2A Q92830 1/20 0.37
KAT2B Q92831 1/20 0.37
KAT5 Q92993 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL7745169 0.93 BID (0.45) CYSLTR2CYSLTR1BIDMCL1BCL2L1
Oxalic Acid SCHEMBL31006396 0.92 CYSLTR2 (0.42) CYSLTR2CYSLTR1BIDMCL1BCL2L1
SCHEMBL955871 0.89 GAA (0.42) GAATDP1L3MBTL1BIDMCL1
SCHEMBL952521 0.85 GAA (0.41) GAATDP1L3MBTL1BIDMCL1
SCHEMBL27286804 0.84 CYP3A4 (0.38) CYSLTR2CYSLTR1BIDMCL1BCL2L1
SCHEMBL29196605 0.83 BID (0.47) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL606253 0.83 GABRA1 (0.43) TDP1CYP3A4TSHRPTGS2HSD17B10
SCHEMBL1527069 0.81 BID (0.50) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL7094415 0.78 BID (0.48) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL6358459 0.77 KDM4E (0.36) TDP1TSHRALOX5KDM4E

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-113286841-A Polycyclic polyphenol resin and method for producing polycyclic polyphenol resin 三菱瓦斯化学株式会社 2021-08-20 CN disclosed