SCHEMBL7590117

SCHEMBL7590117

C=CC(=O)OCCC(C)[N+](C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.50
HPGD P15428 1/20 0.48
ALDH1A1 P00352 4/20 0.48
TP53 P04637 3/20 0.48
HIF1A Q16665 3/20 0.48
CYP3A4 P08684 2/20 0.48
HSD17B10 Q99714 1/20 0.48
BBOX1 O75936 1/20 0.41
THRB P10828 2/20 0.41
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
ATM Q13315 1/20 0.31

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
Hydrochloric Acid SCHEMBL29156474 0.98 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8648835 0.81 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL15511403 0.81 TSHR (0.64) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL34661 0.80 TSHR (0.63) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL29550542 0.80 TSHR (0.63) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9103359 0.80 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
Hydrochloric Acid SCHEMBL3268621 0.79 TSHR (0.62) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8902178 0.79 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
Ethylene SCHEMBL28783854 0.79 TSHR (0.61) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL142522 0.79 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1252207-A2 SALT-FREE AQUEOUS DISPERSIONS OF WATER SOLUBLE (CO)POLYMERS BASED ON CATIONIC MONOMERS, METHOD FOR MAKING SAME AND USES THEREOF Atofina (FR) 2002-10-30 EP disclosed
EP-1252208-A2 SALINE AQUEOUS DISPERSIONS OF WATER SOLUBLE (CO)POLYMERS BASED ON CATIONIC MONOMERS, METHOD FOR MAKING SAME AND USES THEREOF Atofina (FR) 2002-10-30 EP disclosed
EP-1252206-A2 WATER SOLUBLE SALINE AQUEOUS DISPERSIONS OF COPOLYMERS BASED ON CATIONIC MONOMERS, METHOD FOR MAKING SAME AND USES THEREOF Atofina (FR) 2002-10-30 EP disclosed
WO-2001055225-A2 SALT-FREE AQUEOUS DISPERSIONS OF WATER SOLUBLE (CO)POLYMERS BASED ON CATIONIC MONOMERS, METHOD FOR MAKING SAME AND USES THEREOF ATOFINA (FR) 2001-08-02 WO disclosed
WO-2001055224-A2 WATER SOLUBLE SALINE AQUEOUS DISPERSIONS OF COPOLYMERS BASED ON CATIONIC MONOMERS, METHOD FOR MAKING SAME AND USES THEREOF ATOFINA (FR) 2001-08-02 WO disclosed
WO-2001055226-A2 SALINE AQUEOUS DISPERSIONS OF WATER SOLUBLE (CO)POLYMERS BASED ON CATIONIC MONOMERS, METHOD FOR MAKING SAME AND USES THEREOF ATOFINA (FR) 2001-08-02 WO disclosed