SCHEMBL28520119

SCHEMBL28520119

CCCCCC(=O)OC(C)(CC(C)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
LMNA P02545 3/20 0.45
KDM4E B2RXH2 1/20 0.43
DUSP3 P51452 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PAM P19021 2/20 0.40
DGKA P23743 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL5365642 0.98 MAPT (0.51) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL27734730 0.98 MAPT (0.51) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL27603184 0.97 MAPT (0.50) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL9579019 0.87 LMNA (0.50) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL4153858 0.85 MAPT (0.46) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL27496716 0.82 MAPT (0.53) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL2250835 0.82 PAM (0.46) LMNAMEN1KMT2APAMDGKA
SCHEMBL27952502 0.81 MAPT (0.56) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL8997387 0.79 PAM (0.51) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL28246112 0.79 PAM (0.47) LMNAKDM4EDUSP3MEN1KMT2A

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
CN-107115326-B Skin pharmaceutical composition of 1-methyl-N- (2, 6-xylyl) -2-piperidine formamide and using method thereof 雷尔玛达治疗股份有限公司 2021-01-22 CN disclosed