SCHEMBL10337803

SCHEMBL10337803

C[N+](C)(CC(Cl)CC(=O)[O-])C([NH])=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A16 Q86VW1 1/20 0.45
CPT2 P23786 2/20 0.42
CPT1A P50416 2/20 0.42
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 1/20 0.38
HRH1 P35367 1/20 0.38
CRAT P43155 1/20 0.38
CA2 P00918 1/20 0.37
CYP2C19 P33261 2/20 0.36
RECQL P46063 1/20 0.36
BBOX1 O75936 2/20 0.33
CA4 P22748 2/20 0.32
TP53 P04637 2/20 0.31
CYP2D6 P10635 2/20 0.31
TSHR P16473 2/20 0.31
SLC25A20 O43772 2/20 0.31
CPT1B Q92523 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL3397109 0.82 SLC22A16 (0.52) SLC22A16CPT2CPT1AMEN1KMT2A
SCHEMBL3669963 0.73 SLC22A16 (0.42) SLC22A16CPT2CPT1AMEN1KMT2A
Silver SCHEMBL6734699 0.70 CA4 (0.46) SLC22A16CPT2CPT1AMEN1KMT2A
SCHEMBL6734711 0.70 CA4 (0.46) SLC22A16CPT2CPT1AMEN1KMT2A
Carnitine SCHEMBL17629811 0.63 SLC22A16 (1.00) SLC22A16CPT2CPT1AMEN1KMT2A
Carnitine SCHEMBL1813524 0.63 SLC22A16 (1.00) SLC22A16CPT2CPT1AMEN1KMT2A
D-Carnitine SCHEMBL94286 0.63 SLC22A16 (1.00) SLC22A16CPT2CPT1AMEN1KMT2A
Carnitine SCHEMBL3902633 0.63 SLC22A16 (1.00) SLC22A16CPT2CPT1AMEN1KMT2A
Carnitine SCHEMBL21971 0.63 SLC22A16 (1.00) SLC22A16CPT2CPT1AMEN1KMT2A
Levocarnitine SCHEMBL21970 0.63 SLC22A16 (1.00) SLC22A16CPT2CPT1AMEN1KMT2A

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
JP-2000253-A None JP disclosed
JP-H02253-A N-ALKYLAMIDES OF DL AND L(-)-CARNITINE HAVING ANTIBACTERIAL ACTIVITY, AND ITS PREPARATION AND USE AVANTGARDE SPA 1990-01-05 JP disclosed