SCHEMBL4603600

SCHEMBL4603600

CCOC(=O)c1ccc(S(=O)(=O)[O-])cc1C(=O)OCC.CCOC(=O)c1ccc(S(=O)(=O)[O-])cc1C(=O)OCC.[Mg+2]

nearest known ligand 0.53

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
TSHR P16473 3/20 0.53
LMNA P02545 6/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
KDM4E B2RXH2 2/20 0.49
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
KMT2A Q03164 3/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL4606535 0.97 TSHR (0.53) TSHRLMNAL3MBTL1KDM4ECA12
SCHEMBL1863789 0.97 TSHR (0.53) TSHRLMNAL3MBTL1KDM4ECA12
Potassium Ion SCHEMBL1861734 0.97 TSHR (0.53) TSHRLMNAL3MBTL1KDM4ECA12
SCHEMBL4604482 0.97 TSHR (0.53) TSHRLMNAL3MBTL1KDM4ECA12
SCHEMBL4604108 0.88 ALDH1A1 (0.56) TSHRLMNAL3MBTL1KDM4EGAA
SCHEMBL28948566 0.85 TSHR (0.55) TSHRLMNAL3MBTL1KDM4ECA12
SCHEMBL1863791 0.85 TSHR (0.55) TSHRLMNAL3MBTL1KDM4ECA12
SCHEMBL4605029 0.85 TSHR (0.58) TSHRLMNAL3MBTL1KDM4EKMT2A
SCHEMBL4604670 0.84 ALDH1A1 (0.56) TSHRLMNAL3MBTL1KDM4EGAA
SCHEMBL4605459 0.84 ALDH1A1 (0.56) TSHRLMNAL3MBTL1KDM4EKMT2A

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