SCHEMBL4605503

SCHEMBL4605503

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

nearest known ligand 0.52

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
MAPT P10636 1/20 0.52
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
SERPINE1 P05121 1/20 0.35
HSD17B10 Q99714 2/20 0.35
GPR35 Q9HC97 1/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 2/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 2/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TYR P14679 1/20 0.32

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
SCHEMBL4606564 0.97 MAPT (0.52) MAPTCA1CA2CA7CA14
SCHEMBL4603338 0.97 MAPT (0.52) MAPTCA1CA2CA7CA14
SCHEMBL4605634 0.87 ALDH1A1 (0.44) MAPTCA1CA2CA7CA14
SCHEMBL4643633 0.86 MAPT (0.40) MAPTCA1CA2CA7CA14
SCHEMBL4647176 0.86 MAPT (0.40) MAPTCA1CA2CA7CA14
SCHEMBL4603990 0.84 ALDH1A1 (0.44) MAPTCA1CA2CA7CA14
SCHEMBL4603189 0.84 ALDH1A1 (0.44) MAPTCA1CA2CA7CA14
SCHEMBL4603505 0.83 PKM (0.41) MAPTCA1CA2CA7CA14
SCHEMBL4603457 0.83 PKM (0.41) MAPTCA1CA2CA7CA14
SCHEMBL4605114 0.82 CA2 (0.53) CA1CA2CA7CA14CA12

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