SCHEMBL7858563

SCHEMBL7858563

C=Cc1cccc([SiH](OC(=O)CC)OC(=O)CC)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGS2 P35354 1/20 0.36
ACHE P22303 1/20 0.33
MCL1 Q07820 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TRPA1 O75762 1/20 0.31
PARP1 P09874 1/20 0.31
ALOX15 P16050 1/20 0.31
FAAH O00519 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL7858657 0.81 TAS1R3 (0.38) TP53TDP1ALDH1A1SMN1; SMN2TRPA1
SCHEMBL1053845 0.76 ELANE (0.43) KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL706768 0.73 HIF1A (0.38) ACHEKDM4EALDH1A1SMN1; SMN2ALOX15
SCHEMBL14732558 0.72 ALDH1A1 (0.40) TP53TDP1PTGS2KDM4EALDH1A1
SCHEMBL7864084 0.70 ELANE (0.33) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
Styrene SCHEMBL27879903 0.69 ALDH1A1 (0.47) TDP1PTGS2ALDH1A1SMN1; SMN2MEN1
SCHEMBL24616666 0.69 TP53 (0.50) TP53TDP1PTGS2ALDH1A1TRPA1
SCHEMBL9720583 0.68 TDP1 (0.46) TP53TDP1PTGS2ACHEKDM4E
Styrene SCHEMBL28022925 0.68 ALDH1A1 (0.50) MCL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL10613889 0.68 TP53 (0.54) TP53TDP1PTGS2ALDH1A1TRPA1

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
US-6307081-B1 MACROMONOMER HAS ONE OR MORE SILICON-BONDED HYDROGEN ATOMS AT ONE MOLECULAR CHAIN TERMINAL, AND ONE OR MORE ALIPHATICALLY UNSATURATED SILICON-BONDED ORGANIC GROUPS AT THE OTHER MOLECULAR CHAIN TERMINAL. DOW CORNING SILICONE COMPANY, LTD. (JP) 2001-10-23 US disclosed