SCHEMBL4605534

SCHEMBL4605534

CC(C)(C)OC(=O)c1cc(C(=O)OC(C)(C)C)cc(S(=O)(=O)[O-])c1.CC(C)(C)OC(=O)c1cc(C(=O)OC(C)(C)C)cc(S(=O)(=O)[O-])c1.[Mg+2]

nearest known ligand 0.50

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ CA14 Q9ULX7 1/20 0.50
▸ STAT3 P40763 2/20 0.42
▸ DUSP5 Q16690 2/20 0.37
▸ GABRA1 P14867 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ SLC7A5 Q01650 1/20 0.35
▸ PTPN1 P18031 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ DUSP6 Q16828 1/20 0.33

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
SCHEMBL4605517 0.97 CA12 (0.50) CA12CA1CA2CA9CA14
SCHEMBL4604592 0.97 CA12 (0.50) CA12CA1CA2CA9CA14
SCHEMBL178361 0.82 LCK (0.52) CA12CA1CA2CA9CA14
SCHEMBL6856696 0.82 CA12 (0.37) CA12CA1CA2CA9CA14
SCHEMBL6293037 0.82 CA12 (0.37) CA12CA1CA2CA9CA14
SCHEMBL7058435 0.81 CA12 (0.47) CA12CA1CA2CA9CA14
SCHEMBL6293232 0.81 LCK (0.50) CA12CA1CA2CA9CA14
SCHEMBL6858676 0.81 LCK (0.50) CA12CA1CA2CA9CA14
SCHEMBL4603618 0.80 CA12 (0.48) CA12CA1CA2CA9CA14
SCHEMBL6296014 0.77 CA12 (0.34) CA12CA1CA2CA9CA14

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
US-9139710-B2 Aliphatic polyester resin compositions, molded articles of aliphatic polyester resin and method of producing same TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) 2015-09-22 — — US disclosed
EP-1707598-B1 ALIPHATIC POLYESTER RESIN COMPOSITION, ALIPHATIC POLYESTER RESIN MOLDING AND PROCESS FOR PRODUCING THE ALIPHATIC POLYESTER RESIN MOLDING TAKEMOTO OIL & FAT CO LTD (JP) 2008-07-09 — — EP disclosed
US-20070270535-A1 Aliphatic Polyester Resin Compositions, Molded Articles of Aliphatic Polyester Resin and Method of Producing Same TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) 2007-11-22 — — US disclosed
EP-1707598-A1 ALIPHATIC POLYESTER RESIN COMPOSITION, ALIPHATIC POLYESTER RESIN MOLDING AND PROCESS FOR PRODUCING THE ALIPHATIC POLYESTER RESIN MOLDING Takemoto Yushi Kabushiki Kaisha (JP) 2006-10-04 — — EP disclosed
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