SCHEMBL28709885

SCHEMBL28709885

C[SiH](C=Cc1ccccc1)C=Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.50
CHAT P28329 2/20 0.44
TRPA1 O75762 2/20 0.43
RELA Q04206 1/20 0.43
GLA P06280 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
NFE2L2 Q16236 1/20 0.42
CYP19A1 P11511 1/20 0.42
MAOA P21397 1/20 0.42
ALOX5 P09917 1/20 0.42
MAPK1 P28482 1/20 0.42
HDAC3 O15379 1/20 0.41
TNKS O95271 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL766940 0.84 MAOB (0.50) MAOBCHATTRPA1RELAGLA
SCHEMBL3627696 0.84 MAOB (0.50) MAOBCHATTRPA1RELAGLA
Water SCHEMBL27517310 0.82 MAOB (0.48) MAOBCHATTRPA1RELAGLA
SCHEMBL304129 0.80 MAOB (0.46) MAOBCHATTRPA1RELAGLA
SCHEMBL919814 0.80 MAOB (0.46) MAOBCHATTRPA1RELAGLA
SCHEMBL1011749 0.80 MAOB (0.46) MAOBCHATTRPA1RELAGLA
SCHEMBL17210194 0.80 MAOB (0.46) MAOBCHATTRPA1RELAGLA
SCHEMBL16896644 0.80 MAOB (0.46) MAOBCHATTRPA1RELAGLA
SCHEMBL15302396 0.80 MAOB (0.46) MAOBCHATTRPA1RELAGLA
SCHEMBL1011747 0.80 MAOB (0.46) MAOBCHATTRPA1RELAGLA

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-114133493-B Viscosity-reducing ester polycarboxylate superplasticizer and preparation method thereof 科之杰新材料集团有限公司 2023-08-25 CN disclosed
CN-114044860-A Viscosity reduction type ether polycarboxylate superplasticizer and preparation method thereof 科之杰新材料集团有限公司 2022-02-15 CN disclosed