SCHEMBL29050650

SCHEMBL29050650

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CYP1A2 P05177 4/20 0.51
MAPT P10636 5/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
MAPK1 P28482 4/20 0.50
GMNN O75496 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50
TP53 P04637 3/20 0.50
TSHR P16473 3/20 0.50
HSP90AA1 P07900 2/20 0.50
BLM P54132 2/20 0.50
NR1H4 Q96RI1 2/20 0.50
CYP2C9 P11712 2/20 0.50
HIF1A Q16665 2/20 0.50
GLA P06280 1/20 0.49
PMP22 Q01453 1/20 0.49
CYP2C19 P33261 2/20 0.41
RECQL P46063 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
SCHEMBL29050652 0.84 MEN1 (0.60) LMNASMN1; SMN2CYP1A2MAPTMEN1
SCHEMBL28236434 0.82 LMNA (0.53) LMNASMN1; SMN2CYP1A2MAPTMEN1
SCHEMBL25099301 0.81 LMNA (0.59) LMNASMN1; SMN2CYP1A2MAPTMEN1
SCHEMBL25099742 0.81 LMNA (0.59) LMNASMN1; SMN2CYP1A2MAPTMEN1
SCHEMBL29040297 0.80 MAPK1 (0.61) LMNASMN1; SMN2CYP1A2MAPTMEN1
SCHEMBL29185423 0.78 LMNA (0.49) LMNASMN1; SMN2CYP1A2MAPTMEN1
SCHEMBL23148184 0.76 LMNA (0.63) LMNASMN1; SMN2CYP1A2MAPTMEN1
SCHEMBL25099750 0.76 LMNA (0.63) LMNASMN1; SMN2CYP1A2MAPTMEN1
SCHEMBL22057078 0.76 LMNA (0.63) LMNASMN1; SMN2CYP1A2MAPTMEN1
SCHEMBL25099918 0.75 LMNA (0.62) LMNASMN1; SMN2CYP1A2MAPTMEN1

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-116583274-A Methods and pharmaceutical compositions for the treatment and prevention of microbial infectious diseases and related inflammatory disorders 医学文库有限责任公司 2023-08-11 CN claimed
CN-116583274-A Methods and pharmaceutical compositions for the treatment and prevention of microbial infectious diseases and related inflammatory disorders 医学文库有限责任公司 2023-08-11 CN disclosed