SCHEMBL4603629

SCHEMBL4603629

CCCOC(=O)c1cc(C(=O)OCCC)cc(S(=O)(=O)[O-])c1.CCCOC(=O)c1cc(C(=O)OCCC)cc(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
LMNA P02545 1/20 0.49
ESR1 P03372 10/20 0.47
ALDH1A1 P00352 2/20 0.47
CHRM1 P11229 1/20 0.47
TSHR P16473 1/20 0.47
SLC6A2 P23975 1/20 0.47
KDR P35968 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
STS P08842 2/20 0.47
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 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
SCHEMBL4605248 0.97 LMNA (0.49) LMNAESR1ALDH1A1CHRM1TSHR
SCHEMBL4605355 0.97 LMNA (0.49) LMNAESR1ALDH1A1CHRM1TSHR
SCHEMBL4605563 0.91 ESR1 (0.56) LMNAESR1TSHRSTSAKR1C4
SCHEMBL4605710 0.89 ESR1 (0.56) ESR1STSAKR1C4AKR1C3AKR1C2
SCHEMBL4606228 0.88 ESR1 (0.56) LMNAESR1TSHRSTSAKR1C4
SCHEMBL4607327 0.88 ESR1 (0.56) LMNAESR1TSHRSTSAKR1C4
SCHEMBL4605114 0.87 CA2 (0.53) LMNAESR1ALDH1A1STSKDM4E
SCHEMBL4605018 0.86 ESR1 (0.56) ESR1STSAKR1C4AKR1C3AKR1C2
SCHEMBL4603155 0.86 ESR1 (0.56) ESR1STSAKR1C4AKR1C3AKR1C2
SCHEMBL6292096 0.85 ESR1 (0.58) ESR1ALDH1A1STSAKR1C4AKR1C3

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