SCHEMBL4606268

SCHEMBL4606268

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

nearest known ligand 0.45

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
PKM P14618 2/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
SERPINE1 P05121 1/20 0.40
ESR1 P03372 9/20 0.39
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AKR1C4 P17516 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL5525942 0.97 PKM (0.45) PKMGAAKDM4EALDH1A1KMT2A
SCHEMBL4605236 0.97 PKM (0.45) PKMGAAKDM4EALDH1A1KMT2A
SCHEMBL4603586 0.92 PKM (0.54) PKMGAAKDM4EALDH1A1KMT2A
SCHEMBL4605876 0.89 PKM (0.54) PKMGAAKDM4EALDH1A1KMT2A
SCHEMBL4604593 0.89 PKM (0.54) PKMGAAKDM4EALDH1A1KMT2A
SCHEMBL4605563 0.84 ESR1 (0.56) ESR1MAPK1AKR1C4AKR1C3AKR1C2
SCHEMBL4605710 0.83 ESR1 (0.56) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL4605634 0.82 ALDH1A1 (0.44) PKMGAAKDM4EALDH1A1KMT2A
SCHEMBL4607327 0.81 ESR1 (0.56) ESR1MAPK1AKR1C4AKR1C3AKR1C2
SCHEMBL4606228 0.81 ESR1 (0.56) ESR1MAPK1AKR1C4AKR1C3AKR1C2

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