SCHEMBL1896097

SCHEMBL1896097

C=COC(=O)c1ccccc1[Si](CC)(CC)CC

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
TSHR P16473 8/20 0.40
ALDH1A1 P00352 6/20 0.38
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD17B10 Q99714 3/20 0.36
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 3/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 2/20 0.32

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
SCHEMBL1897333 0.82 CYP3A4 (0.40) CYP3A4TSHRALDH1A1TDP1L3MBTL1
Alcohol SCHEMBL1567009 0.80 TSHR (0.52) CYP3A4TSHRALDH1A1TDP1L3MBTL1
SCHEMBL15175 0.77 CYP3A4 (0.55) CYP3A4TSHRALDH1A1TDP1L3MBTL1
SCHEMBL1898783 0.77 CYP3A4 (0.36) CYP3A4TSHRALDH1A1HSD17B10LMNA
SCHEMBL9251505 0.77 CYP3A4 (0.44) CYP3A4TSHRALDH1A1TDP1L3MBTL1
SCHEMBL2146857 0.76 TSHR (0.72) CYP3A4TSHRALDH1A1TDP1L3MBTL1
Ethylene SCHEMBL29113890 0.75 CYP3A4 (0.53) CYP3A4TSHRALDH1A1TDP1L3MBTL1
SCHEMBL7244721 0.74 ALDH1A1 (0.50) TSHRALDH1A1TDP1HSD17B10MEN1
Acetic Acid SCHEMBL27451410 0.74 CYP3A4 (0.48) CYP3A4TSHRALDH1A1TDP1L3MBTL1
Alcohol SCHEMBL8193854 0.74 ALDH1A1 (0.47) CYP3A4TSHRALDH1A1TDP1L3MBTL1

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-20110101503-A1 HYPERBRANCHED POLYMER SYNTHESIZING METHOD, HYPERBRANCHED POLYMER, RESIST COMPOSITION, SEMICONDUCTOR INTEGRATED CIRCUIT, AND SEMICONDUCTOR INTEGRATED CIRCUIT FABRICATION METHOD LION CORPORATION (JP) 2011-05-05 US disclosed