SCHEMBL29029634

SCHEMBL29029634

CC(C)(C)[Si]([SiH2])(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
ESR1 P03372 3/20 0.34
ESR2 Q92731 3/20 0.34
MAPK1 P28482 1/20 0.33
MAPT P10636 1/20 0.31
TAAR1 Q96RJ0 2/20 0.31
ALDH1A1 P00352 2/20 0.31
ALOX15 P16050 1/20 0.31
SLC6A2 P23975 1/20 0.31
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
ACHE P22303 1/20 0.30
ATM Q13315 1/20 0.30
CYP3A4 P08684 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
SCHEMBL152027 0.74 NR1H2 (0.39) NR1H2NR1H3ESR1ESR2MAPK1
SCHEMBL564255 0.74 NR1H2 (0.39) NR1H2NR1H3ESR1ESR2MAPK1
SCHEMBL272814 0.74 NR1H2 (0.39) NR1H2NR1H3ESR1ESR2MAPK1
SCHEMBL3888384 0.72 ESR1 (0.37) NR1H2NR1H3ESR1ESR2MAPK1
SCHEMBL29749402 0.72 ESR1 (0.37) NR1H2NR1H3ESR1ESR2MAPK1
SCHEMBL3526796 0.72 ESR1 (0.37) NR1H2NR1H3ESR1ESR2MAPK1
SCHEMBL20328588 0.72 ESR1 (0.37) NR1H2NR1H3ESR1ESR2MAPK1
SCHEMBL272396 0.72 ESR1 (0.43) NR1H2NR1H3ESR1ESR2MAPK1
Water SCHEMBL3812783 0.72 NR1H2 (0.38) NR1H2NR1H3ESR1ESR2MAPK1
SCHEMBL8381381 0.70 TAAR1 (0.37) NR1H2NR1H3ESR1ESR2MAPK1

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-116217584-A Method for photocatalytic synthesis of ET743 and intermediates thereof 南通诺泰生物医药技术有限公司 2023-06-06 CN disclosed