SCHEMBL28400452

SCHEMBL28400452

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ CYP1A2 P05177 5/20 0.51
▸ MAPK1 P28482 4/20 0.50
▸ MAPT P10636 4/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ GMNN O75496 3/20 0.50
▸ NPSR1 Q6W5P4 3/20 0.50
▸ HSP90AA1 P07900 2/20 0.50
▸ BLM P54132 2/20 0.50
▸ NR1H4 Q96RI1 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ GLA P06280 1/20 0.49
▸ PMP22 Q01453 1/20 0.49
▸ GRM8 O00222 1/20 0.42
▸ GRM6 O15303 1/20 0.42

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
SCHEMBL27798505 0.91 CYP1A2 (0.59) LMNASMN1; SMN2CYP1A2MAPK1MAPT
SCHEMBL28793110 0.91 CYP1A2 (0.59) LMNASMN1; SMN2CYP1A2MAPK1MAPT
SCHEMBL2565535 0.90 MEN1 (0.55) LMNASMN1; SMN2CYP1A2MAPK1MAPT
SCHEMBL28400453 0.90 MEN1 (0.55) LMNASMN1; SMN2CYP1A2MAPK1MAPT
SCHEMBL27777264 0.84 LMNA (0.58) LMNASMN1; SMN2CYP1A2MAPK1MAPT
SCHEMBL27777265 0.84 LMNA (0.51) LMNASMN1; SMN2CYP1A2MAPK1MAPT
Hydrochloric Acid SCHEMBL27798492 0.82 LMNA (0.55) LMNASMN1; SMN2CYP1A2MAPK1MAPT
SCHEMBL27777262 0.81 LMNA (0.62) LMNASMN1; SMN2CYP1A2MAPK1MAPT
Hydrochloric Acid SCHEMBL27777284 0.81 LMNA (0.54) LMNASMN1; SMN2CYP1A2MAPK1MAPT
Hydrochloric Acid SCHEMBL6635915 0.80 CYP1A2 (0.57) LMNASMN1; SMN2CYP1A2MAPK1MAPT

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
CN-111100024-A Method for preparing stable isotope labeled acyl carnitine 南京谱利健生物技术有限公司 2020-05-05 — — CN disclosed
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