SCHEMBL4604432

SCHEMBL4604432

CCCC(C)COC(=O)c1ccc(S(=O)(=O)[O-])cc1C(=O)OCC(C)CCC.CCCC(C)COC(=O)c1ccc(S(=O)(=O)[O-])cc1C(=O)OCC(C)CCC.[Ba+2]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
TSHR P16473 5/20 0.43
MAPK1 P28482 1/20 0.43
CA2 P00918 4/20 0.39
CYP3A4 P08684 1/20 0.39
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
MAPT P10636 2/20 0.36
CA1 P00915 3/20 0.35
NR1I2 O75469 1/20 0.34
LMNA P02545 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL4606723 0.97 ALDH1A1 (0.43) ALDH1A1TSHRMAPK1CA2CYP3A4
SCHEMBL4603680 0.90 MAPT (0.47) ALDH1A1TSHRMAPK1CA2CYP3A4
SCHEMBL4604346 0.87 MAPT (0.47) ALDH1A1TSHRMAPK1CA2CYP3A4
SCHEMBL4603148 0.87 MAPT (0.47) ALDH1A1TSHRMAPK1CA2CYP3A4
SCHEMBL4603319 0.85 ALDH1A1 (0.57) ALDH1A1TSHRMAPK1CA2CYP3A4
SCHEMBL4605152 0.82 ALDH1A1 (0.57) ALDH1A1TSHRMAPK1CA2CYP3A4
SCHEMBL4603175 0.82 ALDH1A1 (0.57) ALDH1A1TSHRMAPK1CA2CYP3A4
SCHEMBL4638394 0.82 GAA (0.39) ALDH1A1TSHRMAPK1CA2CYP3A4
SCHEMBL4647176 0.82 MAPT (0.40) ALDH1A1TSHRMAPK1CA2CYP3A4
SCHEMBL4603786 0.81 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1CA2CYP3A4

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