SCHEMBL4603350

SCHEMBL4603350

CCOC(=O)c1ccc(C(=O)OCC)c(S(=O)(=O)O)c1.[NaH]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.51
CA2 P00918 6/20 0.51
CA12 O43570 5/20 0.51
CA7 P43166 5/20 0.51
CA9 Q16790 5/20 0.51
CA14 Q9ULX7 5/20 0.51
ALDH1A1 P00352 2/20 0.50
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
HPGD P15428 2/20 0.47
HSD17B2 P37059 1/20 0.47
RECQL P46063 1/20 0.47
STS P08842 1/20 0.47
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAOA P21397 1/20 0.46
TSHR P16473 2/20 0.46
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL11168879 0.98 CA1 (0.53) CA1CA2CA12CA7CA9
Cesium SCHEMBL4606972 0.97 CA1 (0.51) CA1CA2CA12CA7CA9
SCHEMBL4605954 0.97 CA1 (0.51) CA1CA2CA12CA7CA9
SCHEMBL4605204 0.97 CA1 (0.51) CA1CA2CA12CA7CA9
SCHEMBL4606964 0.91 HRH3 (0.46) CA1CA2CA12CA7CA9
SCHEMBL28010157 0.91 CA1 (0.49) CA1CA2CA12CA7CA9
SCHEMBL4605513 0.88 HRH3 (0.46) CA1CA2CA12CA7CA9
SCHEMBL4605884 0.88 HRH3 (0.46) CA1CA2CA12CA7CA9
SCHEMBL4602711 0.88 HRH3 (0.49) CA1CA2CA12CA7CA9
SCHEMBL4604645 0.88 ALDH1A1 (0.50) ALDH1A1ESR1HPGDSTSLMNA

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 7 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
US-4168145-A Branched low molecular weight polyesters levelling agents for dyestuff CASSELLA AKTIENGESELLSCHAFT (DE) 1979-09-18 US disclosed
US-4167395-A Water-soluble branched polyesters CASSELLA AKTIENGESELLSCHAFT (DE) 1979-09-11 US disclosed
US-4150216-A Hair-treating agents from branched, sulfo-group containing copolyesters HOECHST AKTIENGESELLSCHAFT (DE) 1979-04-17 US disclosed