SCHEMBL4602708

SCHEMBL4602708

COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)O)c1.[LiH]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.56
HSD17B10 Q99714 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 11/20 0.56
HPGD P15428 6/20 0.56
MAPT P10636 3/20 0.56
GAA P10253 3/20 0.56
ATM Q13315 3/20 0.56
CASP1 P29466 2/20 0.56
CASP7 P55210 2/20 0.56
GLA P06280 2/20 0.56
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
XDH P47989 1/20 0.47
CA14 Q9ULX7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL3339517 0.98 KDM4E (0.58) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
Potassium SCHEMBL31619359 0.97 KDM4E (0.56) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL1863796 0.97 KDM4E (0.56) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
Cesium SCHEMBL4605888 0.97 KDM4E (0.56) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL1868219 0.97 KDM4E (0.56) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL27397618 0.85 KDM4E (0.54) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL18086462 0.84 KDM4E (0.49) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL18088759 0.84 KDM4E (0.50) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL5597489 0.83 KDM4E (0.53) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL5597490 0.83 KDM4E (0.53) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD

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