SCHEMBL4647176

SCHEMBL4647176

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
PRKCA P17252 2/20 0.35
PRKCD Q05655 2/20 0.35
ALDH1A1 P00352 5/20 0.34
MAPK1 P28482 2/20 0.34
TSHR P16473 1/20 0.34
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA7 P43166 2/20 0.33
CA14 Q9ULX7 2/20 0.33
SERPINE1 P05121 1/20 0.33
GPR35 Q9HC97 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
KMT2A Q03164 3/20 0.33
ESR1 P03372 3/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 2/20 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
SCHEMBL4643633 0.97 MAPT (0.40) MAPTPRKCAPRKCDALDH1A1MAPK1
SCHEMBL4603338 0.89 MAPT (0.52) MAPTPRKCAPRKCDALDH1A1MAPK1
SCHEMBL4605503 0.86 MAPT (0.52) MAPTPRKCAPRKCDALDH1A1MAPK1
SCHEMBL4606564 0.86 MAPT (0.52) MAPTALDH1A1MAPK1TSHRCA1
SCHEMBL4603990 0.84 ALDH1A1 (0.44) MAPTALDH1A1TSHRCA1CA2
SCHEMBL4604432 0.82 ALDH1A1 (0.43) MAPTALDH1A1MAPK1TSHRCA1
SCHEMBL4603189 0.81 ALDH1A1 (0.44) MAPTALDH1A1TSHRCA1CA2
SCHEMBL4605634 0.81 ALDH1A1 (0.44) MAPTALDH1A1TSHRCA1CA2
SCHEMBL4603457 0.81 PKM (0.41) MAPTALDH1A1MAPK1CA1CA2
SCHEMBL6856281 0.81 PRKCA (0.43) PRKCAPRKCDALDH1A1TSHRCA1

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