SCHEMBL28508907

SCHEMBL28508907

C[N+](C)(C)CC(CC(=O)[O-])OC(=O)CN

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.73
▸ KMT2A Q03164 4/20 0.73
▸ CYP2C19 P33261 2/20 0.73
▸ RECQL P46063 1/20 0.73
▸ CYP1A2 P05177 3/20 0.67
▸ HRH1 P35367 1/20 0.67
▸ SLC25A20 O43772 3/20 0.61
▸ TP53 P04637 3/20 0.61
▸ TSHR P16473 3/20 0.61
▸ CYP2D6 P10635 2/20 0.61
▸ SLC6A5 Q9Y345 2/20 0.61
▸ MAPT P10636 2/20 0.61
▸ CYP2C9 P11712 2/20 0.61
▸ HIF1A Q16665 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ NFKB1 P19838 1/20 0.61
▸ THPO P40225 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ CPT2 P23786 1/20 0.55

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 SCHEMBL3637399 0.98 MEN1 (0.71) MEN1KMT2ACYP2C19RECQLCYP1A2
Hydrochloric Acid SCHEMBL17004055 0.98 MEN1 (0.71) MEN1KMT2ACYP2C19RECQLCYP1A2
Levocarnitine Propionate SCHEMBL3039334 0.86 MEN1 (0.82) MEN1KMT2ACYP2C19RECQLCYP1A2
Propionyl-Carnitine SCHEMBL3639171 0.86 MEN1 (0.82) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL3006635 0.86 MEN1 (0.77) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL7048157 0.86 MEN1 (0.77) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL11137948 0.85 MEN1 (0.71) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL1061675 0.85 MEN1 (0.71) MEN1KMT2ACYP2C19RECQLCYP1A2
Propionyl-Carnitine SCHEMBL3637406 0.85 MEN1 (0.80) MEN1KMT2ACYP2C19RECQLCYP1A2
Levocarnitine Propionate SCHEMBL3637409 0.85 MEN1 (0.80) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112552364-A Novel 11 beta-hydroxysteroid compounds for use in mitochondrial biogenesis and diseases associated with mitochondrial dysfunction or depletion 司菲埃拉制药私人有限公司 2021-03-26 — — CN disclosed
CN-111989098-A Compounds and compositions for the treatment of muscle disorders 埃皮里姆生物股份有限公司 2020-11-24 — — CN disclosed
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