SCHEMBL8459206

SCHEMBL8459206

CC(Cc1ccccc1)(C(=O)c1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 8/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
CES1 P23141 2/20 0.47
SLC6A2 P23975 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
CYP3A4 P08684 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 1/20 0.44
CYP2D6 P10635 1/20 0.44
TRPA1 O75762 1/20 0.43
SRC P12931 1/20 0.43
CYP1A2 P05177 1/20 0.42
RECQL P46063 1/20 0.42
PTPN1 P18031 1/20 0.42

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
SCHEMBL7104524 0.84 SLC6A2 (0.52) MMP8SMN1; SMN2HIF1ACES1SLC6A2
SCHEMBL8994348 0.82 SRC (0.46) MMP8SMN1; SMN2HIF1ACES1SLC6A2
SCHEMBL8710382 0.81 SMN1; SMN2 (0.57) MMP8SMN1; SMN2HIF1ASLC6A2TAAR1
SCHEMBL28441545 0.79 CES1 (0.47) MMP8SMN1; SMN2HIF1ACES1SLC6A2
SCHEMBL8462267 0.79 CES1 (0.50) SMN1; SMN2HIF1ACES1CYP3A4ALDH1A1
SCHEMBL21269108 0.79 SMN1; SMN2 (0.55) MMP8SMN1; SMN2HIF1ASLC6A2TAAR1
SCHEMBL21269898 0.79 SMN1; SMN2 (0.55) MMP8SMN1; SMN2HIF1ASLC6A2TAAR1
SCHEMBL21269500 0.79 SMN1; SMN2 (0.55) MMP8SMN1; SMN2HIF1ASLC6A2TAAR1
SCHEMBL28315808 0.79 SMN1; SMN2 (0.55) MMP8SMN1; SMN2HIF1ASLC6A2TAAR1
SCHEMBL28314511 0.79 SMN1; SMN2 (0.55) MMP8SMN1; SMN2HIF1ASLC6A2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1138743-C 1, 3-diketone compound ض� 2004-02-18 CN disclosed
CN-1054139-C Catalyst component for the polymerization of olefins and catalyst obtained MONTELL NORTH AMERICAN INC (US) 2000-07-05 CN disclosed
CN-1257061-A 1, 3-diketone compound MONTELL NORTH AMERICAN INC (US) 2000-06-21 CN disclosed
EP-0646605-B1 Components and catalysts for the polymerization of olefins MONTELL NORTH AMERICA INC (US) 1999-06-02 EP disclosed
US-5468704-A Comprising titanium halide or halogen alcoholate supported on magnesium halide and a diketone electron donor; preparing polypropylene of high isotacticity MONTELL NORTH AMERICA INC. (US) 1995-11-21 US disclosed
CN-1105671-A Components and catalysts for olefin polymerization HIMONT INC (US) 1995-07-26 CN disclosed
EP-0646605-A1 Components and catalysts for the polymerization of olefins MONTELL NORTH AMERICA INC. (US) 1995-04-05 EP disclosed