SCHEMBL29720691

SCHEMBL29720691

C=CC(=O)OCCOc1ccc(C2(c3ccc(OCCOC(=O)C=C)c(C)c3)c3ccccc3-c3ccccc32)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
TSHR P16473 3/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 3/20 0.33
TP53 P04637 2/20 0.33
HIF1A Q16665 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
NPC1 O15118 1/20 0.32
MAPT P10636 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
SCHEMBL556299 1.00 THRB (0.46) THRBESR1ESR2TSHRHPGD
SCHEMBL15356202 0.95 THRB (0.50) THRBESR1ESR2TSHRHPGD
SCHEMBL16903532 0.93 THRB (0.43) THRBESR1ESR2TSHRHPGD
SCHEMBL819037 0.90 THRB (0.49) THRBESR1ESR2TSHRHPGD
SCHEMBL30390791 0.90 THRB (0.49) THRBESR1ESR2TSHRHPGD
SCHEMBL557484 0.88 THRB (0.45) THRBESR1ESR2TSHRHPGD
SCHEMBL29720690 0.88 THRB (0.45) THRBESR1ESR2TSHRHPGD
SCHEMBL21405720 0.87 HCAR2 (0.44) THRBESR1ESR2TSHRHPGD
SCHEMBL2230807 0.86 THRB (0.48) THRBESR1ESR2TSHRHPGD
SCHEMBL16551559 0.86 THRB (0.48) THRBESR1ESR2TSHRHPGD

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
WO-2022154042-A1 VOLUME HOLOGRAM LAMINATE, VOLUME HOLOGRAM TRANSFER FOIL, VOLUME HOLOGRAM LABEL, CARD, DATA PAGE AND BOOK 大日本印刷株式会社 2022-07-21 WO disclosed