SCHEMBL4603130

SCHEMBL4603130

CCC(C)CCOC(=O)c1ccc(C(=O)OCCC(C)CC)c(S(=O)(=O)O)c1.[NaH]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
MAPK1 P28482 2/20 0.42
TSHR P16473 2/20 0.42
MAPT P10636 2/20 0.40
PKM P14618 2/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 4/20 0.35
STS P08842 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
ESR1 P03372 3/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A2 P23975 1/20 0.35
KDR P35968 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL4605220 0.98 ALDH1A1 (0.42) ALDH1A1MAPK1TSHRMAPTPKM
SCHEMBL4603927 0.89 MAPK1 (0.48) ALDH1A1MAPK1TSHRMAPTPKM
SCHEMBL4605746 0.88 MAPT (0.55) ALDH1A1MAPK1TSHRMAPTKDM4E
SCHEMBL4605665 0.87 ALDH1A1 (0.41) ALDH1A1MAPK1TSHRMAPTPKM
SCHEMBL4604896 0.87 ALDH1A1 (0.41) ALDH1A1MAPK1TSHRMAPTPKM
SCHEMBL4605147 0.86 MAPK1 (0.48) ALDH1A1MAPK1TSHRMAPTPKM
SCHEMBL4604412 0.86 MAPK1 (0.48) ALDH1A1MAPK1TSHRMAPTPKM
SCHEMBL4606942 0.85 MAPT (0.55) ALDH1A1MAPK1TSHRMAPTKDM4E
SCHEMBL4605104 0.85 MAPT (0.55) ALDH1A1MAPK1TSHRMAPTKDM4E
SCHEMBL4604645 0.84 ALDH1A1 (0.50) ALDH1A1MAPK1TSHRKDM4ESTS

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