SCHEMBL4604645

SCHEMBL4604645

CCCOC(=O)c1ccc(C(=O)OCCC)c(S(=O)(=O)O)c1.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
ESR1 P03372 4/20 0.50
TSHR P16473 4/20 0.50
CHRM1 P11229 1/20 0.50
SLC6A2 P23975 1/20 0.50
KDR P35968 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
STS P08842 3/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 5/20 0.47
RAB9A P51151 1/20 0.43
HPGD P15428 2/20 0.42
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
NR1H2 P55055 1/20 0.41
RNASEL Q05823 1/20 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
SCHEMBL4607678 0.97 ALDH1A1 (0.50) ALDH1A1ESR1TSHRCHRM1SLC6A2
Cesium SCHEMBL4604869 0.97 ALDH1A1 (0.50) ALDH1A1ESR1TSHRCHRM1SLC6A2
SCHEMBL4604493 0.97 ALDH1A1 (0.50) ALDH1A1ESR1TSHRCHRM1SLC6A2
SCHEMBL18088759 0.92 KDM4E (0.50) ALDH1A1ESR1TSHRCHRM1SLC6A2
SCHEMBL4605177 0.92 ESR1 (0.52) ALDH1A1ESR1TSHRTDP1STS
SCHEMBL18086462 0.92 KDM4E (0.49) ALDH1A1ESR1TSHRCHRM1SLC6A2
SCHEMBL4605691 0.91 TSHR (0.52) ALDH1A1ESR1TSHRSTSLMNA
SCHEMBL6689569 0.90 ESR1 (0.54) ALDH1A1ESR1TSHRTDP1STS
SCHEMBL4605594 0.89 ESR1 (0.52) ALDH1A1ESR1TSHRTDP1STS
Cesium SCHEMBL4603714 0.89 ESR1 (0.52) ALDH1A1ESR1TSHRTDP1STS

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 5 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