SCHEMBL9445136

SCHEMBL9445136

CCC(C)C(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.64
▸ KMT2A Q03164 4/20 0.64
▸ CYP2C19 P33261 2/20 0.64
▸ RECQL P46063 1/20 0.64
▸ CYP1A2 P05177 3/20 0.63
▸ HRH1 P35367 1/20 0.63
▸ SLC25A20 O43772 3/20 0.55
▸ TP53 P04637 3/20 0.55
▸ TSHR P16473 3/20 0.55
▸ CYP2D6 P10635 2/20 0.55
▸ SLC6A5 Q9Y345 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ HIF1A Q16665 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ NFKB1 P19838 1/20 0.55
▸ THPO P40225 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ SLC22A16 Q86VW1 1/20 0.46

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
SCHEMBL235232 1.00 MEN1 (0.64) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL1643494 0.87 MEN1 (0.63) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL5824225 0.87 MEN1 (0.63) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL16915066 0.86 MEN1 (0.61) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL21877806 0.85 LMNA (0.60) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL21647333 0.85 LMNA (0.60) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL21877811 0.85 LMNA (0.60) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL234697 0.85 MEN1 (0.69) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL677165 0.85 MEN1 (0.69) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL2565442 0.85 MEN1 (0.69) MEN1KMT2ACYP2C19RECQLCYP1A2

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-0376899-B1 USE OF L-CARNITINE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE THERAPEUTICAL TREATMENT OF PERIPHERAL NEUROPATHIES Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1993-08-04 — — EP claimed
US-5227518-A L-CARNITINE DERIVATIVES AS THERAPEUTICAL AGENTS FOR TREATING MYOPATHIES AND NEURONAL DEGENERATION AND FOR INHIBITING PROTEOLYSIS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1993-07-13 — — US claimed
EP-0516594-A1 L-carnitine derivatives as therapeutical agents for treating myopathies and neuronal degeneration and for inhibiting proteolysis Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1992-12-02 — — EP claimed
EP-0376899-A2 Use of L-carnitine derivatives for the manufacture of a medicament for the therapeutical treatment of peripheral neuropathies Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1990-07-04 — — EP claimed
EP-0376899-B1 USE OF L-CARNITINE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE THERAPEUTICAL TREATMENT OF PERIPHERAL NEUROPATHIES Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1993-08-04 — — EP disclosed
EP-0516594-A1 L-carnitine derivatives as therapeutical agents for treating myopathies and neuronal degeneration and for inhibiting proteolysis Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1992-12-02 — — EP disclosed
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