SCHEMBL28297577

SCHEMBL28297577

CCCCCCCCc1ccc(-c2ccccc2)cc1.CCOP(=O)(O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
RARA P10276 1/20 0.51
MAPT P10636 1/20 0.51
MTOR P42345 1/20 0.51
KMT2A Q03164 1/20 0.51
ENPP2 Q13822 1/20 0.50
S1PR2 O95136 2/20 0.48
S1PR1 P21453 2/20 0.48
S1PR3 Q99500 2/20 0.48
LPAR2 Q9HBW0 1/20 0.48
CETP P11597 4/20 0.47
S1PR4 O95977 1/20 0.46
HSD11B1 P28845 1/20 0.46

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
SCHEMBL22175053 0.83 RARB (0.58) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL16407596 0.82 ENPP2 (0.50) RARBALDH1A1ENPP2S1PR2S1PR1
SCHEMBL22174837 0.80 ENPP2 (0.56) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL13908978 0.80 ENPP2 (0.56) RARBMEN1ALDH1A1RARAMAPT
Bicarbonate SCHEMBL27817579 0.79 RARB (0.73) RARBMEN1ALDH1A1RARAMAPT
Bicarbonate SCHEMBL27643232 0.79 RARB (0.73) RARBMEN1ALDH1A1RARAMAPT
Butane SCHEMBL10939785 0.79 MEN1 (0.52) MEN1ALDH1A1KMT2A
SCHEMBL5599589 0.78 HSD11B1 (0.67) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL4598933 0.78 HSD11B1 (0.67) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL9158137 0.78 HSD11B1 (0.67) RARBMEN1ALDH1A1RARAMAPT

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
CN-109689624-A Peroxycinnamate derivative, and polymerizable composition containing the same 日油株式会社 2019-04-26 CN disclosed