SCHEMBL4606124

SCHEMBL4606124

CCCCCOC(=O)c1ccc(S(=O)(=O)[O-])cc1C(=O)OCCCCC.CCCCCOC(=O)c1ccc(S(=O)(=O)[O-])cc1C(=O)OCCCCC.[Mg+2]

nearest known ligand 0.59

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 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.59
MAPK1 P28482 3/20 0.59
CYP3A4 P08684 2/20 0.59
TP53 P04637 1/20 0.59
ALDH1A1 P00352 4/20 0.57
LMNA P02545 2/20 0.57
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
KDM4E B2RXH2 2/20 0.48
POLB P06746 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GAA P10253 1/20 0.47
S1PR3 Q99500 1/20 0.46
STS P08842 3/20 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
SCHEMBL4605747 0.97 TSHR (0.59) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL4604221 0.97 TSHR (0.59) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL28103147 0.96 TSHR (0.60) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL4605029 0.96 TSHR (0.58) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL4604586 0.93 TSHR (0.58) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL4603546 0.93 TSHR (0.58) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL4604108 0.90 ALDH1A1 (0.56) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL4605459 0.87 ALDH1A1 (0.56) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL4604670 0.87 ALDH1A1 (0.56) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL9133233 0.86 S1PR3 (0.62) TSHRMAPK1CYP3A4TP53ALDH1A1

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