SCHEMBL27329083

SCHEMBL27329083

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP1A2 P05177 4/20 0.45
MAPK1 P28482 4/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
GMNN O75496 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
HSP90AA1 P07900 2/20 0.44
BLM P54132 2/20 0.44
NR1H4 Q96RI1 2/20 0.44
TP53 P04637 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
HIF1A Q16665 1/20 0.44
GLA P06280 1/20 0.43
PMP22 Q01453 1/20 0.43
HRH1 P35367 1/20 0.38
CYP2C19 P33261 1/20 0.36

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
SCHEMBL3259677 0.85 MEN1 (0.56) LMNASMN1; SMN2CYP1A2MAPTMEN1
SCHEMBL19469432 0.81 LMNA (0.51) LMNASMN1; SMN2CYP1A2MAPK1MAPT
SCHEMBL28020418 0.81 LMNA (0.51) LMNASMN1; SMN2CYP1A2MAPK1MAPT
SCHEMBL28400446 0.81 LMNA (0.56) LMNASMN1; SMN2CYP1A2MAPK1MAPT
SCHEMBL9779448 0.80 MEN1 (0.36) LMNASMN1; SMN2CYP1A2MAPK1MAPT
SCHEMBL28686908 0.79 LMNA (0.45) LMNASMN1; SMN2CYP1A2MAPK1MAPT
SCHEMBL25099301 0.78 LMNA (0.59) LMNASMN1; SMN2CYP1A2MAPK1MAPT
SCHEMBL29064040 0.78 CASP1 (0.32) LMNASMN1; SMN2
SCHEMBL29064042 0.78 CASP1 (0.32) LMNASMN1; SMN2
SCHEMBL25099742 0.78 LMNA (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1039326-C Phosphinyloxy propanaminium inner salt derivatives SANDOZ LTD (CH) 1998-07-29 CN disclosed
CN-1086217-A The derivative of Phosphinyloxy propanaminium inner salt SANDOZ LTD (CH) 1994-05-04 CN disclosed