SCHEMBL30852824

SCHEMBL30852824

NC1(C(=O)O)CCC1C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
FABP7 O15540 1/20 0.44
FABP5 Q01469 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 4/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 1/20 0.42
CPB1 P15086 1/20 0.41
LMNA P02545 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 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
SCHEMBL8323846 0.93 TSHR (0.47) TSHRFABP7FABP5SMN1; SMN2CYP2C19
SCHEMBL6380145 0.92 FKBP1A (0.47) TSHRFABP7FABP5SMN1; SMN2CYP2C19
SCHEMBL2392378 0.87 TSHR (0.46) TSHRFABP7FABP5SMN1; SMN2CYP2C19
SCHEMBL27660459 0.81 FABP7 (0.47) TSHRFABP7FABP5SMN1; SMN2CYP2C19
SCHEMBL24410821 0.81 TSHR (0.49) TSHRFABP7FABP5SMN1; SMN2CYP2C19
SCHEMBL29845766 0.80 FKBP1A (0.47) TSHRFABP7FABP5SMN1; SMN2CYP2C19
Hydrochloric Acid SCHEMBL6543330 0.79 TSHR (0.48) TSHRFABP7FABP5SMN1; SMN2CYP2C19
SCHEMBL7220762 0.79 TSHR (0.51) TSHRFABP7FABP5SMN1; SMN2CYP2C19
SCHEMBL7222846 0.79 TSHR (0.51) TSHRFABP7FABP5SMN1; SMN2CYP2C19
SCHEMBL29845815 0.79 FKBP1A (0.46) TSHRFABP7FABP5SMN1; SMN2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024098718-A1 NOVEL LONG-ACTING POLYPEPTIDE COMPOUND, COMPOSITION, AND USE THEREOF 内蒙古博睿精创科技有限公司 2024-05-16 WO disclosed