Perchlorate

Perchlorate

SCHEMBL9633990

C[N+](C)(C)CC(CC(=O)[O-])OCc1ccccc1.[O-][Cl+3]([O-])([O-])O

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CYP1A2 P05177 2/20 0.46
HRH1 P35367 1/20 0.46
CYP2C19 P33261 3/20 0.43
RECQL P46063 1/20 0.43
CYP2D6 P10635 3/20 0.40
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
CYP2C9 P11712 2/20 0.40
ALPL P05186 1/20 0.39
POLB P06746 1/20 0.39
ALPG P10696 1/20 0.39
SLC25A20 O43772 3/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 2/20 0.39
SLC6A5 Q9Y345 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
Perchlorate SCHEMBL9634002 1.00 MEN1 (0.46) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL9634318 0.95 MEN1 (0.50) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL2201976 0.95 MEN1 (0.50) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL17303194 0.90 MEN1 (0.46) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL28314908 0.83 LMNA (0.49) MEN1KMT2ACYP1A2CYP2C19CYP2D6
SCHEMBL2308345 0.82 KMT2A (0.43) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL8184237 0.80 MEN1 (0.47) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL2995885 0.78 LMNA (0.44) MEN1KMT2ACYP1A2CYP2C19CYP2D6
Levocarnitine SCHEMBL9633996 0.76 SLC22A16 (0.53) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL9574228 0.76 LMNA (0.42) MEN1KMT2ACYP1A2CYP2C19CYP2D6

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-0446185-A1 Alpha-amino-omega-alkylthioacylcarnitines active on the cardiovascular system and pharmaceutical compositions containing same SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 1991-09-11 EP claimed
EP-0252030-B1 DERIVATIVES OF L-AMINO ACYL L-CARNITINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS HAVING HEPATOPROTECTING ACTIVITY CONTAINING SAME Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1992-06-17 EP disclosed
US-5061725-A COGNITION ACTIVATORS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1991-10-29 US disclosed
EP-0446185-A1 Alpha-amino-omega-alkylthioacylcarnitines active on the cardiovascular system and pharmaceutical compositions containing same SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 1991-09-11 EP disclosed
US-4868211-A LIVER DISORDERS 501 SIGMA TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1989-09-19 US disclosed
US-4812478-A Derivatives of L-amino acyl L-carnitine, process for their preparation and pharmaceutical compositions having hepatoprotecting activity containing same SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1989-03-14 US disclosed
EP-0252030-A2 Derivatives of L-amino acyl L-carnitine, process for their preparation and pharmaceutical compositions having hepatoprotecting activity containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1988-01-07 EP disclosed