SCHEMBL23967261

SCHEMBL23967261

CCCC[C@H](C)C(=O)OC1CC2CCC1(C)C2(C)C

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
HTT P42858 3/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPK1 P28482 2/20 0.47
KMT2A Q03164 2/20 0.47
PLA2G1B P04054 1/20 0.47
RAD52 P43351 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
CYP19A1 P11511 2/20 0.46

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
SCHEMBL28259609 0.87 ALDH1A1 (0.52) LMNAALDH1A1MAPTMAPK1KMT2A
SCHEMBL786210 0.87 ALDH1A1 (0.52) LMNAALDH1A1MAPTMAPK1KMT2A
Acetic Acid SCHEMBL28210853 0.83 ALDH1A1 (0.49) LMNAALDH1A1MAPTMAPK1KMT2A
SCHEMBL28340013 0.82 MAPT (0.53) LMNAALDH1A1MAPTMAPK1KMT2A
SCHEMBL8789071 0.82 LMNA (0.46) LMNAHTTALDH1A1MAPTNPSR1
SCHEMBL1628256 0.81 MAPT (0.55) LMNAALDH1A1MAPTMAPK1KMT2A
SCHEMBL30994865 0.81 MAPT (0.55) LMNAALDH1A1MAPTMAPK1KMT2A
SCHEMBL25689340 0.81 MAPT (0.55) LMNAALDH1A1MAPTMAPK1KMT2A
SCHEMBL17627665 0.81 MAPT (0.55) LMNAALDH1A1MAPTMAPK1KMT2A
SCHEMBL17627632 0.81 MAPT (0.55) LMNAALDH1A1MAPTMAPK1KMT2A

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
EP-3225627-B1 TRIPEPTIDE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF UNIV NORTHWEST (CN) 2021-11-03 EP disclosed