SCHEMBL582869

SCHEMBL582869

CCCO[SiH](CCc1ccc(CCCC(=O)S)c(CCCC(=O)S)c1)OCCC

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IAPP P10997 2/20 0.35
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MTNR1A P48039 2/20 0.31
MTNR1B P49286 2/20 0.31
SLC5A1 P13866 1/20 0.30
SLC5A2 P31639 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
SCHEMBL582056 0.79 BACE1 (0.31) ALDH1A1MTNR1A
SCHEMBL5491208 0.74 DGKA (0.31)
SCHEMBL15733755 0.68 DAO (0.38) ALDH1A1
SCHEMBL17937687 0.66 TAAR1 (0.40) ALDH1A1TDP1
SCHEMBL8954003 0.66 GFER (0.45) ALDH1A1TDP1CYP3A4
SCHEMBL927507 0.66 LMNA (0.33) LMNAL3MBTL1
SCHEMBL15733744 0.66 TAAR1 (0.40) LMNAL3MBTL1
SCHEMBL17937753 0.66 TAAR1 (0.40) CYP1A2CYP2C19LMNAL3MBTL1
SCHEMBL706073 0.65 IDO1 (0.38) ALDH1A1TDP1
SCHEMBL26239774 0.65 MEN1 (0.50) IAPPALDH1A1CYP1A2CYP3A4CYP2C8

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-2094741-B1 TIRE COMPOSITIONS AND COMPONENTS CONTAINING BLOCKED MERCAPTOSILANE COUPLING AGENT CONTINENTAL REIFEN DEUTSCHLAND (DE) 2012-02-15 EP claimed