SCHEMBL7606816

SCHEMBL7606816

C=CCOC(=O)CCCl.CCO[SiH](OCC)OCC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.36
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.31
CYP3A4 P08684 1/20 0.31
EPHX2 P34913 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CYP1A2 P05177 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
SCHEMBL464887 0.84
SCHEMBL3804106 0.75 TSHR (0.63) TSHRALDH1A1L3MBTL1TDP1SMN1; SMN2
SCHEMBL6995381 0.73 TSHR (0.61) TSHRALDH1A1L3MBTL1TDP1SMN1; SMN2
Allyl Butanoate SCHEMBL16372404 0.73 TSHR (0.71) TSHRALDH1A1L3MBTL1TDP1SMN1; SMN2
Allyl Butanoate SCHEMBL263508 0.73
SCHEMBL56403 0.72 TSHR (0.63) TSHRALDH1A1L3MBTL1TDP1SMN1; SMN2
SCHEMBL7212781 0.72 TSHR (0.76) TSHRALDH1A1TDP1SMN1; SMN2PKM
SCHEMBL5445626 0.71 TSHR (0.59) TSHRALDH1A1L3MBTL1TDP1SMN1; SMN2
Allyl Butanoate SCHEMBL28209182 0.71 TSHR (0.69) TSHRALDH1A1L3MBTL1TDP1SMN1; SMN2
SCHEMBL27683153 0.70 TSHR (0.58) TSHRALDH1A1L3MBTL1TDP1SMN1; SMN2

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-1024143-B1 Process for preparing alpha,beta-unsaturated carboxylic acid group-containing organosilicon compounds CONSORTIUM ELEKTROCHEM IND (DE) 2002-01-09 EP disclosed
EP-1024143-A2 Process for preparing alpha,beta-unsaturated carboxylic acid group-containing organosilicon compounds Consortium für elektrochemische Industrie GmbH (DE) 2000-08-02 EP disclosed