SCHEMBL7061908

SCHEMBL7061908

CC(C)(C)OC(=O)C(CCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.50
CTSS P25774 1/20 0.50
ITGA4 P13612 1/20 0.47
ITGB7 P26010 1/20 0.47
MMP1 P03956 1/20 0.46
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46
TSHR P16473 1/20 0.45
NPR3 P17342 1/20 0.45
PRSS1 P07477 2/20 0.45
CTSG P08311 2/20 0.45
CTRB1 P17538 2/20 0.45
CMA1 P23946 2/20 0.45
AAK1 Q2M2I8 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MMP8 P22894 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL7057941 0.92 MMP1 (0.48) CTSKCTSSITGA4ITGB7MMP1
SCHEMBL28031659 0.87 CTSK (0.44) CTSKCTSSITGA4ITGB7MMP1
SCHEMBL487446 0.85 CTSK (0.49) CTSKCTSSITGA4ITGB7MMP1
SCHEMBL487448 0.85 CTSK (0.49) CTSKCTSSITGA4ITGB7MMP1
SCHEMBL12221989 0.84 CTSK (0.48) CTSKCTSSITGA4ITGB7MMP1
SCHEMBL2307682 0.84 LTA4H (0.55) CTSKCTSSITGA4ITGB7MMP1
SCHEMBL2307679 0.84 LTA4H (0.55) CTSKCTSSITGA4ITGB7MMP1
SCHEMBL27878054 0.84 LTA4H (0.55) CTSKCTSSITGA4ITGB7MMP1
SCHEMBL9160311 0.83 ITGA4 (0.52) CTSKCTSSITGA4ITGB7MMP1
SCHEMBL5756427 0.83 CTSK (0.47) CTSKCTSSTSHRPRSS1CTSG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106608940-A Preparation method for catalyst components used for olefin polymerization 中国石油化工股份有限公司 2017-05-03 CN claimed
CN-106608940-A Preparation method for catalyst components used for olefin polymerization 中国石油化工股份有限公司 2017-05-03 CN disclosed
EP-0937703-B1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-05-21 EP disclosed
US-6348617-B1 REACTING PYRUVIC ACID COMPOUND IN WATER WITH AMMONIUM OR ALKALI METAL BISULFITE TO GIVE AQUEOUS SOLUTION OF BISULFITE ADDUCT, ISOLATING BY PHASE SEPARATION, OPTIONALLY USING HYDROPHOBIC SOLVENT, CONTACTING WITH ACID TO DECOMPOSE ADDUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-19 US disclosed
EP-0937703-A1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-25 EP disclosed