SCHEMBL4603965

SCHEMBL4603965

CCCCOC(=O)c1ccc(C(=O)OCCCC)c(S(=O)(=O)O)c1.[KH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.52
TSHR P16473 4/20 0.52
LMNA P02545 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
MAPK1 P28482 2/20 0.52
CYP2D6 P10635 1/20 0.52
NR1H2 P55055 1/20 0.52
RNASEL Q05823 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
STS P08842 7/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
CYP3A4 P08684 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
CYP2C9 P11712 1/20 0.51
PDE4D Q08499 1/20 0.51
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL6689569 0.99 ESR1 (0.54) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL4605594 0.97 ESR1 (0.52) ESR1TSHRLMNACYP1A2CYP2C19
Cesium SCHEMBL4603714 0.97 ESR1 (0.52) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL4605177 0.97 ESR1 (0.52) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL4603134 0.96 TSHR (0.52) ESR1TSHRLMNACYP1A2CYP2C19
Cesium SCHEMBL4607228 0.93 TSHR (0.52) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL4603651 0.93 TSHR (0.52) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL4605691 0.93 TSHR (0.52) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL4607678 0.92 ALDH1A1 (0.50) ESR1TSHRLMNACYP1A2CYP2C19
Cesium SCHEMBL4604869 0.89 ALDH1A1 (0.50) ESR1TSHRLMNACYP1A2CYP2C19

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