SCHEMBL4606689

SCHEMBL4606689

CC(C)CCCOC(=O)c1ccc(C(=O)OCCCC(C)C)c(S(=O)(=O)O)c1.[LiH]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.40
PKM P14618 2/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
STS P08842 7/20 0.38
ESR1 P03372 3/20 0.38
LMNA P02545 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
NR1H2 P55055 1/20 0.37
RNASEL Q05823 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL4607273 0.97 MAPK1 (0.40) MAPK1PKMHSD17B10TSHRALDH1A1
SCHEMBL4606438 0.97 MAPK1 (0.40) MAPK1PKMHSD17B10TSHRALDH1A1
SCHEMBL4605147 0.92 MAPK1 (0.48) MAPK1PKMHSD17B10TSHRALDH1A1
SCHEMBL4604412 0.90 MAPK1 (0.48) MAPK1PKMHSD17B10TSHRALDH1A1
SCHEMBL4603927 0.90 MAPK1 (0.48) MAPK1PKMHSD17B10TSHRALDH1A1
SCHEMBL4604012 0.86 MAPK1 (0.40) MAPK1PKMHSD17B10TSHRALDH1A1
SCHEMBL4604596 0.86 MAPK1 (0.40) MAPK1PKMHSD17B10TSHRALDH1A1
SCHEMBL4605100 0.86 MAPK1 (0.40) MAPK1PKMHSD17B10TSHRALDH1A1
SCHEMBL4605594 0.86 ESR1 (0.52) MAPK1TSHRALDH1A1KDM4ESTS
SCHEMBL4603651 0.85 TSHR (0.52) MAPK1TSHRALDH1A1STSESR1

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