SCHEMBL4604108

SCHEMBL4604108

CCCOC(=O)c1ccc(S(=O)(=O)[O-])cc1C(=O)OCCC.CCCOC(=O)c1ccc(S(=O)(=O)[O-])cc1C(=O)OCCC.[Mg+2]

nearest known ligand 0.56

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 0.56
TSHR P16473 8/20 0.45
TDP1 Q9NUW8 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
CYP3A4 P08684 2/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
KDM4E B2RXH2 4/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 3/20 0.43
ESR1 P03372 1/20 0.41
CHRM1 P11229 1/20 0.41
SLC6A2 P23975 1/20 0.41
KDR P35968 1/20 0.41
STS P08842 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.38
SERPINE1 P05121 1/20 0.38
MAOB P27338 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL4604670 0.97 ALDH1A1 (0.56) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL4605459 0.97 ALDH1A1 (0.56) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL4605029 0.91 TSHR (0.58) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL4606124 0.90 TSHR (0.59) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL4604586 0.88 TSHR (0.58) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL4603546 0.88 TSHR (0.58) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL4603600 0.88 TSHR (0.53) ALDH1A1TSHRTDP1L3MBTL1TP53
SCHEMBL4605747 0.87 TSHR (0.59) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL4604221 0.87 TSHR (0.59) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL28103147 0.86 TSHR (0.60) ALDH1A1TSHRTDP1L3MBTL1CYP3A4

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