SCHEMBL4605884

SCHEMBL4605884

CCOC(=O)c1ccc(C(=O)O)cc1S(=O)(=O)O.[CsH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA7 P43166 4/20 0.44
CA9 Q16790 4/20 0.44
CA14 Q9ULX7 4/20 0.44
TSHR P16473 3/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CASP6 P55212 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 1/20 0.42
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41

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
SCHEMBL4605513 0.97 HRH3 (0.46) HRH3ALDH1A1KDM4ELMNACA12
SCHEMBL4602711 0.97 HRH3 (0.49) HRH3ALDH1A1KDM4ELMNACA12
SCHEMBL4606964 0.97 HRH3 (0.46) HRH3ALDH1A1KDM4ELMNACA12
SCHEMBL11168879 0.90 CA1 (0.53) ALDH1A1KDM4ELMNACA12CA1
SCHEMBL4603350 0.88 CA1 (0.51) ALDH1A1KDM4ELMNACA12CA1
Cesium SCHEMBL4606972 0.88 CA1 (0.51) ALDH1A1KDM4ELMNACA12CA1
SCHEMBL4605204 0.88 CA1 (0.51) ALDH1A1KDM4ELMNACA12CA1
SCHEMBL4605954 0.88 CA1 (0.51) ALDH1A1KDM4ELMNACA12CA1
SCHEMBL28010157 0.86 CA1 (0.49) ALDH1A1KDM4ELMNACA12CA1
SCHEMBL8407442 0.82 CDC25B (0.46) KDM4ECA12CA1CA2CA7

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