SCHEMBL9633333

SCHEMBL9633333

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.59
▸ KMT2A Q03164 4/20 0.59
▸ CYP1A2 P05177 3/20 0.59
▸ HRH1 P35367 1/20 0.59
▸ CYP2C19 P33261 2/20 0.56
▸ RECQL P46063 1/20 0.56
▸ SLC25A20 O43772 3/20 0.49
▸ TP53 P04637 2/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ SLC6A5 Q9Y345 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ THPO P40225 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ CPT2 P23786 1/20 0.49

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
SCHEMBL9633338 1.00 MEN1 (0.59) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL5085304 0.85 MEN1 (0.59) MEN1KMT2ACYP1A2HRH1CYP2C19
Hydrochloric Acid SCHEMBL27798492 0.85 LMNA (0.55) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL9632995 0.84 MEN1 (0.58) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL9632999 0.84 MEN1 (0.58) MEN1KMT2ACYP1A2HRH1CYP2C19
Hydrochloric Acid SCHEMBL6553903 0.81 MEN1 (0.55) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL2565535 0.81 MEN1 (0.55) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL6553878 0.81 MEN1 (0.55) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL2017757 0.81 KMT2A (0.55) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL9128763 0.81 MEN1 (0.55) MEN1KMT2ACYP1A2HRH1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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