SCHEMBL27616239

SCHEMBL27616239

O=C(c1ccccc1)c1ccc(OCCC(O)CO)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.67
PPARA Q07869 3/20 0.57
LMNA P02545 3/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
MAPT P10636 2/20 0.55
MAPK1 P28482 4/20 0.52
LTA4H P09960 1/20 0.52
ABCB1 P08183 4/20 0.52
PPARG P37231 3/20 0.50
PKM P14618 1/20 0.50
PPARD Q03181 1/20 0.50
HRH4 Q9H3N8 1/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL2384639 0.84 ABCB1 (0.66) GAAPPARALMNAMAPTMAPK1
SCHEMBL14445477 0.84 ALDH1A1 (0.57) PPARALMNAL3MBTL1MAPK1PPARG
SCHEMBL12980169 0.84 ALDH1A1 (0.57) PPARALMNAL3MBTL1MAPK1PPARG
SCHEMBL6321328 0.82 GAA (0.82) GAAPPARALMNAL3MBTL1MAPT
SCHEMBL887049 0.80 GAA (1.00) GAAPPARALMNAL3MBTL1MAPT
SCHEMBL4561660 0.80 GAA (0.79) GAAPPARALMNAL3MBTL1MAPT
SCHEMBL11485988 0.80 PPARA (0.83) GAAPPARALMNAL3MBTL1MAPT
SCHEMBL18543110 0.79 ABCB1 (0.71) GAAPPARALMNAMAPTMAPK1
SCHEMBL5396195 0.79 GAA (0.83) GAAPPARALMNAL3MBTL1MAPT
SCHEMBL6652325 0.79 PPARA (0.81) GAAPPARALMNAL3MBTL1MAPT

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
CN-1727321-A Multifunctional ketone compound used as photoinitiator and preparation method thereof HUATAI CHEMICAL CO LTD CHANGZH (CN) 2006-02-01 CN claimed
CN-1727321-A Multifunctional ketone compound used as photoinitiator and preparation method thereof HUATAI CHEMICAL CO LTD CHANGZH (CN) 2006-02-01 CN disclosed