SCHEMBL4604172

SCHEMBL4604172

CC(C)COC(=O)c1ccc(C(=O)OCC(C)C)c(S(=O)(=O)[O-])c1.CC(C)COC(=O)c1ccc(C(=O)OCC(C)C)c(S(=O)(=O)[O-])c1.[Mg+2]

nearest known ligand 0.49

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
ALDH1A1 P00352 5/20 0.49
TSHR P16473 2/20 0.49
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 1/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
JMJD6 Q6NYC1 1/20 0.40
CDK1 P06493 1/20 0.40
CDK2 P24941 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4605928 0.97 ALDH1A1 (0.49) ALDH1A1TSHRMAPTTDP1MAPK1
SCHEMBL4603167 0.97 ALDH1A1 (0.49) ALDH1A1TSHRMAPTTDP1MAPK1
SCHEMBL4605864 0.88 MAPT (0.53) ALDH1A1TSHRMAPTTDP1MAPK1
SCHEMBL4604360 0.87 MAPK1 (0.47) ALDH1A1TSHRMAPTTDP1MAPK1
SCHEMBL4605895 0.86 MAPT (0.53) ALDH1A1TSHRMAPTTDP1MAPK1
SCHEMBL4605952 0.86 MAPT (0.53) ALDH1A1TSHRMAPTTDP1MAPK1
SCHEMBL4602782 0.85 ALDH1A1 (0.50) ALDH1A1TSHRMAPTTDP1MAPK1
SCHEMBL4605207 0.85 ALDH1A1 (0.50) ALDH1A1TSHRMAPTTDP1MAPK1
Cesium SCHEMBL4605659 0.85 ALDH1A1 (0.50) ALDH1A1TSHRMAPTTDP1MAPK1
SCHEMBL4603784 0.85 ALDH1A1 (0.50) ALDH1A1TSHRMAPTTDP1MAPK1

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