SCHEMBL29112155

SCHEMBL29112155

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 4/20 0.48
MAPK1 P28482 4/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
GMNN O75496 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
HSP90AA1 P07900 2/20 0.47
BLM P54132 2/20 0.47
NR1H4 Q96RI1 2/20 0.47
TSHR P16473 2/20 0.47
TP53 P04637 1/20 0.47
CYP2C9 P11712 1/20 0.47
HIF1A Q16665 1/20 0.47
GLA P06280 1/20 0.46
PMP22 Q01453 1/20 0.46
FFAR1 O14842 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL21877827 1.00 LMNA (0.51) LMNASMN1; SMN2CYP1A2MAPK1MAPT
SCHEMBL4551529 0.85 MEN1 (0.55) LMNASMN1; SMN2CYP1A2MAPTMEN1
SCHEMBL29022745 0.84 LMNA (0.56) LMNASMN1; SMN2CYP1A2MAPK1MAPT
Hydrochloric Acid SCHEMBL8956956 0.83 LMNA (0.59) LMNASMN1; SMN2CYP1A2MAPK1MAPT
SCHEMBL25099301 0.80 LMNA (0.59) LMNASMN1; SMN2CYP1A2MAPK1MAPT
SCHEMBL25099742 0.80 LMNA (0.59) LMNASMN1; SMN2CYP1A2MAPK1MAPT
SCHEMBL28275395 0.79 MAPT (0.60) LMNASMN1; SMN2CYP1A2MAPK1MAPT
SCHEMBL28289121 0.77 LMNA (0.59) LMNASMN1; SMN2CYP1A2MAPK1MAPT
SCHEMBL28320795 0.75 CYP1A2 (0.60) LMNASMN1; SMN2CYP1A2MAPK1MAPT
SCHEMBL27473175 0.75 LMNA (0.53) 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-116879440-A Sorghum variety identification method based on metabolic substance composition difference 泸州品创科技有限公司 2023-10-13 CN claimed
CN-116879440-A Sorghum variety identification method based on metabolic substance composition difference 泸州品创科技有限公司 2023-10-13 CN disclosed