SCHEMBL4603460

SCHEMBL4603460

CCOC(=O)c1ccc(C(=O)OCC)c(S(=O)(=O)[O-])c1.CCOC(=O)c1ccc(C(=O)OCC)c(S(=O)(=O)[O-])c1.[Ba+2]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
CA1 P00915 5/20 0.50
CA2 P00918 5/20 0.50
CA12 O43570 4/20 0.50
CA7 P43166 4/20 0.50
CA9 Q16790 4/20 0.50
CA14 Q9ULX7 4/20 0.50
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 2/20 0.46
HSD17B2 P37059 1/20 0.46
RECQL P46063 1/20 0.46
STS P08842 1/20 0.46
CYP1A2 P05177 1/20 0.45

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
SCHEMBL4605949 0.97 CA1 (0.50) ALDH1A1CA1CA2CA12CA7
SCHEMBL4604672 0.97 CA1 (0.50) ALDH1A1CA1CA2CA12CA7
SCHEMBL3338209 0.97 CA1 (0.50) ALDH1A1CA1CA2CA12CA7
SCHEMBL4604511 0.89 ALDH1A1 (0.49) ALDH1A1ESR1LMNATSHRKDM4E
SCHEMBL4604229 0.86 ESR1 (0.51) ALDH1A1ESR1LMNATSHRKDM4E
SCHEMBL4604058 0.86 ALDH1A1 (0.49) ALDH1A1ESR1LMNATSHRKDM4E
SCHEMBL4603152 0.86 ALDH1A1 (0.49) ALDH1A1ESR1LMNATSHRKDM4E
SCHEMBL4604772 0.85 TSHR (0.51) ALDH1A1ESR1LMNATSHRSTS
SCHEMBL11168879 0.85 CA1 (0.53) ALDH1A1CA1CA2CA12CA7
SCHEMBL4605928 0.85 ALDH1A1 (0.49) ALDH1A1KMT2ALMNATSHRKDM4E

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