SCHEMBL4603134

SCHEMBL4603134

CCCCCOC(=O)c1ccc(C(=O)OCCCCC)c(S(=O)(=O)O)c1.[KH]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
MAPK1 P28482 2/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
STS P08842 7/20 0.52
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
ESR1 P03372 4/20 0.48
AKR1C4 P17516 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
AKR1C1 Q04828 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
NR1H2 P55055 1/20 0.48
RNASEL Q05823 1/20 0.48

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
SCHEMBL4605691 0.97 TSHR (0.52) TSHRMAPK1TP53CYP3A4STS
SCHEMBL4603651 0.97 TSHR (0.52) TSHRMAPK1TP53CYP3A4STS
Cesium SCHEMBL4607228 0.97 TSHR (0.52) TSHRMAPK1TP53CYP3A4STS
SCHEMBL4603965 0.96 ESR1 (0.52) TSHRMAPK1TP53CYP3A4STS
SCHEMBL6689569 0.95 ESR1 (0.54) TSHRMAPK1TP53CYP3A4STS
Cesium SCHEMBL4603714 0.93 ESR1 (0.52) TSHRMAPK1TP53CYP3A4STS
SCHEMBL4605177 0.93 ESR1 (0.52) TSHRMAPK1TP53CYP3A4STS
SCHEMBL4605594 0.93 ESR1 (0.52) TSHRMAPK1TP53CYP3A4STS
SCHEMBL4607678 0.91 ALDH1A1 (0.50) TSHRMAPK1CYP3A4STSALDH1A1
Cesium SCHEMBL4604869 0.88 ALDH1A1 (0.50) TSHRMAPK1CYP3A4STSALDH1A1

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