SCHEMBL29253333

SCHEMBL29253333

C=Cc1ccc(C[SiH2]C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
TDP1 Q9NUW8 2/20 0.34
TRPA1 O75762 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
POLB P06746 1/20 0.31
PPARG P37231 1/20 0.31

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
SCHEMBL4238157 0.77 ALDH1A1 (0.73) ALDH1A1TSHRHDAC8TDP1TRPA1
SCHEMBL28485894 0.77 ALDH1A1 (0.44) ALDH1A1TSHRHDAC8TDP1CHRNB2
SCHEMBL28340918 0.77 ALDH1A1 (0.44) ALDH1A1TSHRHDAC8TDP1TRPA1
SCHEMBL10626273 0.74 ALDH1A1 (0.41) ALDH1A1TSHRHDAC8TDP1TRPA1
SCHEMBL28169834 0.74 ALDH1A1 (0.92) ALDH1A1TSHRHDAC8TDP1TRPA1
SCHEMBL15915 0.73 ALDH1A1 (0.58) ALDH1A1TSHRHDAC8CHRNB2CHRNB4
SCHEMBL18674459 0.72 ALDH1A1 (0.39) ALDH1A1TSHRHDAC8TP53MAPT
SCHEMBL9652517 0.72 ALDH1A1 (0.39) ALDH1A1TSHRHDAC8CHRNB2CHRNB4
SCHEMBL15112935 0.72 ALDH1A1 (0.38) ALDH1A1TSHRTP53PPARGPPARD
SCHEMBL1647493 0.72 ALDH1A1 (0.65) ALDH1A1TSHRHDAC8TDP1CHRNB2

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-118388726-A Solution polymerized styrene butadiene rubber containing N/O/Si functional monomer and preparation method thereof 湖南理工学院 2024-07-26 CN claimed
CN-116693782-A Thermoplastic elastomer containing O/N/Si functional monomer and preparation method thereof 湖南理工学院 2023-09-05 CN claimed
CN-118388726-A Solution polymerized styrene butadiene rubber containing N/O/Si functional monomer and preparation method thereof 湖南理工学院 2024-07-26 CN disclosed
CN-116693782-A Thermoplastic elastomer containing O/N/Si functional monomer and preparation method thereof 湖南理工学院 2023-09-05 CN disclosed