SCHEMBL4603355

SCHEMBL4603355

CCC(C)OC(=O)c1ccc(C(=O)O)cc1S(=O)(=O)O.[NaH]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 2/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PKM P14618 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CDC25B P30305 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NSD2 O96028 1/20 0.36
ESR1 P03372 1/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
RECQL P46063 1/20 0.36
ESR2 Q92731 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL4606971 0.97 NPSR1 (0.40) NPSR1MAPTKMT2ASMN1; SMN2PKM
SCHEMBL4605955 0.97 NPSR1 (0.40) NPSR1MAPTKMT2ASMN1; SMN2PKM
SCHEMBL4605210 0.97 NPSR1 (0.40) NPSR1MAPTKMT2ASMN1; SMN2PKM
SCHEMBL4604651 0.86 PRKCA (0.45) NPSR1MAPTKMT2ASMN1; SMN2PKM
SCHEMBL4604865 0.84 PRKCA (0.45) NPSR1MAPTKMT2ASMN1; SMN2PKM
SCHEMBL4607680 0.84 PRKCA (0.45) NPSR1MAPTKMT2ASMN1; SMN2PKM
SCHEMBL4604499 0.84 PRKCA (0.45) NPSR1MAPTKMT2ASMN1; SMN2PKM
SCHEMBL4605183 0.82 PRKCA (0.39) NPSR1KMT2ASMN1; SMN2PKMALDH1A1
SCHEMBL4605211 0.81 KDM4E (0.41) NPSR1MAPTKMT2ASMN1; SMN2PKM
SCHEMBL4606964 0.81 HRH3 (0.46) KMT2ASMN1; SMN2PKMALDH1A1KDM4E

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