SCHEMBL28401796

SCHEMBL28401796

C=Cc1ccc([SiH](C)OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TRPA1 O75762 1/20 0.37
TSHR P16473 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
TDP1 Q9NUW8 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TP53 P04637 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
SCHEMBL21667307 0.81 ALDH1A1 (0.46) ALDH1A1TRPA1TSHRHDAC8TDP1
SCHEMBL8103451 0.80 ALDH1A1 (0.50) ALDH1A1TRPA1TSHRHDAC8TDP1
SCHEMBL6752546 0.79 ALDH1A1 (0.55) ALDH1A1TRPA1TSHRHDAC8TDP1
SCHEMBL1783186 0.77 ALDH1A1 (0.58) ALDH1A1TRPA1TSHRHDAC8TDP1
SCHEMBL28334361 0.77 ALDH1A1 (0.58) ALDH1A1TRPA1TSHRHDAC8TDP1
SCHEMBL28393090 0.74 ALDH1A1 (0.42) ALDH1A1TRPA1TSHRHDAC8TDP1
SCHEMBL30437098 0.73 ALDH1A1 (0.52) ALDH1A1TRPA1TSHRHDAC8TDP1
SCHEMBL30792532 0.73 ALDH1A1 (0.52) ALDH1A1TRPA1TSHRHDAC8TDP1
SCHEMBL4105504 0.72 ACHE (0.42) ALDH1A1TSHRTDP1
SCHEMBL6548417 0.71 ALDH1A1 (0.39) ALDH1A1TRPA1TSHRHDAC8CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106866971-B Weather-resistant low-temperature-resistant organic silicon impact modifier and preparation method and application thereof 广东优科艾迪高分子材料有限公司 2020-05-05 CN claimed
CN-106866971-B Weather-resistant low-temperature-resistant organic silicon impact modifier and preparation method and application thereof 广东优科艾迪高分子材料有限公司 2020-05-05 CN disclosed