SCHEMBL29091807

SCHEMBL29091807

[SiH3]C(C=Cc1ccccc1)C=Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
MAOB P27338 2/20 0.50
CA1 P00915 1/20 0.46
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
NFE2L2 Q16236 1/20 0.42
CYP19A1 P11511 1/20 0.42
MAOA P21397 1/20 0.42
TRPA1 O75762 1/20 0.42
ALOX5 P09917 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
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

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
SCHEMBL30984309 0.84 MAOB (0.50) CYP1A2MAOBCA1ALDH1A1LMNA
SCHEMBL11878598 0.77 CYP1A2 (0.55) CYP1A2MAOBCA1ALDH1A1LMNA
SCHEMBL3848021 0.77 CYP1A2 (0.55) CYP1A2MAOBCA1ALDH1A1LMNA
SCHEMBL3834342 0.75 CYP1A2 (0.53) CYP1A2MAOBCA1ALDH1A1LMNA
SCHEMBL7737180 0.75 CYP1A2 (0.53) CYP1A2MAOBCA1ALDH1A1LMNA
SCHEMBL5275190 0.74 MAOB (0.50) CYP1A2MAOBCA1ALDH1A1LMNA
SCHEMBL7593075 0.74 CYP1A2 (0.52) CYP1A2MAOBCA1ALDH1A1LMNA
SCHEMBL5455161 0.74 MAOB (0.50) CYP1A2MAOBCA1ALDH1A1LMNA
SCHEMBL11615844 0.74 MAOB (0.50) CYP1A2MAOBCA1ALDH1A1LMNA
SCHEMBL7898779 0.74 CYP1A2 (0.52) CYP1A2MAOBCA1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116891609-A Composition containing polyvinyl alcohol resin 日本瓦姆&珀巴尔株式会社 2023-10-17 CN disclosed
CN-114044860-B Viscosity-reducing ether polycarboxylate superplasticizer and preparation method thereof 科之杰新材料集团有限公司 2023-08-29 CN disclosed
CN-114133493-A Viscosity-reducing type ester polycarboxylate superplasticizer and preparation method thereof 科之杰新材料集团有限公司 2022-03-04 CN disclosed