SCHEMBL18091839

SCHEMBL18091839

OC(=S)c1ccc(C2CCCCC2)cc1[SiH3]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACMSD Q8TDX5 2/20 0.47
▸ KMO O15229 1/20 0.41
▸ KMT2A Q03164 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ BACE1 P56817 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ HAO1 Q9UJM8 1/20 0.36
▸ PDK2 Q15119 1/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ APP P05067 1/20 0.34
▸ SERPINE1 P05121 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
SCHEMBL18091803 0.83 ACMSD (0.64) ACMSDKMOKMT2ATDP1KDM4E
SCHEMBL18091838 0.79 ACMSD (0.50) ACMSDKMOKMT2ATDP1KDM4E
Hydrogen Peroxide SCHEMBL11391495 0.71 HAO1 (0.55) ACMSDKMOKMT2ATDP1KDM4E
SCHEMBL12813898 0.71 HAO1 (0.53) ACMSDKMOKMT2ATDP1KDM4E
SCHEMBL507052 0.71 HAO1 (0.53) ACMSDKMOKMT2ATDP1KDM4E
SCHEMBL23374556 0.70 ACMSD (0.75) ACMSDKMOKMT2ATDP1KDM4E
SCHEMBL18091822 0.70 KMO (0.35) ACMSDKMOKMT2ATDP1KDM4E
SCHEMBL28713979 0.69 HTT (0.44) ACMSDKMT2ATDP1KDM4EGLA
Hydrogen Peroxide SCHEMBL11391460 0.69 KMO (0.71) ACMSDKMOKMT2ATDP1KDM4E
SCHEMBL12814216 0.69 KMO (0.70) ACMSDKMOKMT2AHDAC4HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699606-B1 POLYMERS FUNCTIONALIZED WITH A CARBOXYLIC OR THIOCARBOXYLIC ESTER CONTAINING A SILYLATED AMINO GROUP BRIDGESTONE CORP (JP) 2016-09-28 — — EP claimed
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