SCHEMBL27361874

SCHEMBL27361874

ClC[C](c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
MAPK1 P28482 2/20 0.56
GSK3B P49841 2/20 0.56
TRPA1 O75762 1/20 0.56
HIF1A Q16665 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 2/20 0.42
CES1 P23141 4/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 2/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
CES2 O00748 2/20 0.41
TSHR P16473 2/20 0.41
DAO P14920 1/20 0.41
NAPRT Q6XQN6 1/20 0.41

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
SCHEMBL10804379 0.77 ALDH1A1 (0.56) ALDH1A1MAPK1GSK3BTRPA1HIF1A
SCHEMBL8110239 0.75 L3MBTL1 (0.46) ALDH1A1MAPK1GSK3BTRPA1HIF1A
SCHEMBL3087344 0.73 CES1 (0.43) ALDH1A1MAPK1GSK3BTRPA1HIF1A
Methylene Chloride SCHEMBL28337543 0.73 MAPK1 (0.52) ALDH1A1MAPK1GSK3BTRPA1HIF1A
SCHEMBL11009208 0.72 ALDH1A1 (0.52) ALDH1A1MAPK1GSK3BTRPA1HIF1A
Phenacyl Chloride SCHEMBL2314766 0.72 ALDH1A1 (1.00) ALDH1A1MAPK1GSK3BTRPA1HIF1A
SCHEMBL1874851 0.72 ALDH1A1 (0.52) ALDH1A1MAPK1GSK3BTRPA1HIF1A
SCHEMBL15851 0.72 ALDH1A1 (0.52) ALDH1A1MAPK1GSK3BTRPA1HIF1A
Phenacyl Chloride SCHEMBL55444 0.72 ALDH1A1 (1.00) ALDH1A1MAPK1GSK3BTRPA1HIF1A
SCHEMBL219736 0.71 ATM (0.54) ALDH1A1MAPK1SMN1; SMN2RAB9ACES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1957020-B Organic silica-based film, method for forming the same, wiring structure, semiconductor device, and composition for forming the film JSR CORP 2011-06-08 CN disclosed
CN-1957020-A Organic silica-based film, method for forming the same, wiring structure, semiconductor device, and composition for forming the film JSR CORP (JP) 2007-05-02 CN disclosed
CN-1954017-A Method for forming organic silica film, organic silica film, wiring structure, semiconductor device, and composition for film formation JSR CORP (JP) 2007-04-25 CN disclosed
CN-1070650-A Bridged metallocene compound, process for producing catalyst component, and process for polymerizing olefin DSM NV (NL) 1993-04-07 CN disclosed