SCHEMBL8440988

SCHEMBL8440988

c1ccc(CCO[SiH2]O[Si](O[SiH2]OCCc2ccccc2)(O[SiH2]OCCc2ccccc2)c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
IDO1 P14902 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LTA4H P09960 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
CASP1 P29466 1/20 0.34

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
SCHEMBL11526340 0.75 CA1 (0.42) KCNH2CA1CA2CA9IDO1
SCHEMBL4604272 0.73 CA1 (0.41) CA1CA2CA9IDO1CYP1A2
SCHEMBL7794352 0.72 TAAR1 (0.42) KCNH2CA1CA2CA9IDO1
SCHEMBL28729766 0.72 NPC1 (0.43) CA1CA2CA9IDO1NPC1
SCHEMBL5666722 0.72 TAAR1 (0.47) CA1CA2CA9IDO1NPC1
SCHEMBL29162909 0.69 CA1 (0.48) CA1CA2CA9IDO1CYP1A2
SCHEMBL4195245 0.69 CA1 (0.44) CA1CA2CA9IDO1CYP1A2
SCHEMBL704523 0.69 CA1 (0.44) CA1CA2CA9IDO1NPC1
SCHEMBL15483954 0.68
SCHEMBL2230509 0.68 SMN1; SMN2 (0.38) KCNH2CA1CA2CA9IDO1

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
EP-0967235-A1 Silicon-modified resins based on recurring units derived from allyl alcohol and their use in weather-resistant coatings Cook Composites and Polymers Company (US) 1999-12-29 EP disclosed
US-4141926-A Method for preparing epoxy-modified silicon resins SHIN-ETSU CHEMICAL CO., LTD. (JP) 1979-02-27 US disclosed