SCHEMBL28314908

SCHEMBL28314908

C[N+](C)(C)C[C@@H](CC(=O)O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP1A2 P05177 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 4/20 0.41
MAPT P10636 4/20 0.41
GMNN O75496 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
HSP90AA1 P07900 2/20 0.41
BLM P54132 2/20 0.41
NR1H4 Q96RI1 2/20 0.41
MMP12 P39900 1/20 0.41

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
SCHEMBL2995885 0.94 LMNA (0.44) LMNASMN1; SMN2CYP1A2MEN1KMT2A
SCHEMBL9574228 0.92 LMNA (0.42) LMNASMN1; SMN2CYP1A2MEN1KMT2A
SCHEMBL9634318 0.88 MEN1 (0.50) CYP1A2MEN1KMT2ASLC1A3SLC1A2
SCHEMBL2201976 0.88 MEN1 (0.50) CYP1A2MEN1KMT2ASLC1A3SLC1A2
SCHEMBL10382406 0.85 KMT2A (0.51) SMN1; SMN2CYP1A2MEN1KMT2ASLC1A3
Perchlorate SCHEMBL9634002 0.83 MEN1 (0.46) CYP1A2MEN1KMT2ASLC1A3SLC1A2
SCHEMBL17303194 0.83 MEN1 (0.46) CYP1A2MEN1KMT2ASLC1A3SLC1A2
Perchlorate SCHEMBL9633990 0.83 MEN1 (0.46) CYP1A2MEN1KMT2ASLC1A3SLC1A2
SCHEMBL28790050 0.82 SLC1A3 (0.46) SMN1; SMN2CYP1A2MEN1KMT2ASLC1A3
SCHEMBL12136516 0.82 SLC1A3 (0.46) SMN1; SMN2CYP1A2MEN1KMT2ASLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107519496-B L-carnitine amphiphilic derivative, nanoparticle modified by same and application thereof SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2019-12-10 CN claimed
CN-107176911-B Oral targeted nano granule based on intestinal epithelial cell top side OCTN2 transporter 沈阳药科大学 2019-07-26 CN claimed
CN-107519496-B L-carnitine amphiphilic derivative, nanoparticle modified by same and application thereof SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2019-12-10 CN disclosed