SCHEMBL6544995

SCHEMBL6544995

C=CC(=O)OCCC(C)(c1ccccc1)[N+](C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.49
TSHR P16473 6/20 0.38
HPGD P15428 1/20 0.38
SCN1A P35498 2/20 0.38
SCN2A Q99250 2/20 0.38
SCN3A Q9NY46 2/20 0.38
ALDH1A1 P00352 8/20 0.38
HIF1A Q16665 3/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
CHRM5 P08912 1/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2C19 P33261 2/20 0.35
AKR1B10 O60218 1/20 0.35

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
SCHEMBL28115369 0.80 THRB (0.51) THRBTSHRHPGDALDH1A1HIF1A
SCHEMBL17320929 0.77 THRB (0.51) THRBTSHRHPGDALDH1A1HIF1A
Hydrochloric Acid SCHEMBL28297094 0.77 THRB (0.48) THRBTSHRHPGDALDH1A1HIF1A
Hydrochloric Acid SCHEMBL28274438 0.76 THRB (0.47) THRBTSHRHPGDALDH1A1HIF1A
SCHEMBL285778 0.76 THRB (0.47) THRBTSHRHPGDSCN1ASCN2A
SCHEMBL10437472 0.75 THRB (0.56) THRBTSHRHPGDALDH1A1HIF1A
SCHEMBL27993968 0.75 THRB (0.49) THRBTSHRHPGDALDH1A1HIF1A
SCHEMBL13183073 0.74 THRB (0.59) THRBTSHRHPGDALDH1A1HIF1A
SCHEMBL238595 0.74 THRB (0.51) THRBTSHRHPGDSCN1ASCN2A
SCHEMBL13892719 0.74 THRB (0.45) THRBALDH1A1CYP3A4KDM4ESMN1; SMN2

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
EP-1252206-B1 WATER SOLUBLE SALINE AQUEOUS DISPERSIONS OF COPOLYMERS BASED ON CATIONIC MONOMERS, METHOD FOR MAKING SAME AND USES THEREOF ATOFINA (FR) 2004-01-07 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-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-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-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
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