SCHEMBL28071071

SCHEMBL28071071

CNC(=O)c1cc(C(=O)O)c(C)c(C2CCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.41
CAMKK2 Q96RR4 2/20 0.37
FASN P49327 4/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34

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
SCHEMBL30281000 0.83 HSD17B10 (0.39) CAMKK2KDM4EKMT2ATDP1MAPT
SCHEMBL27296746 0.80 MAPT (0.45) CAMKK2KDM4EMEN1KMT2ATDP1
SCHEMBL30280884 0.76 CAMKK2 (0.39) CAMKK2KDM4EMEN1KMT2ATDP1
SCHEMBL15544569 0.75 FASN (0.54) CAMKK2FASN
SCHEMBL30281103 0.75 MAPT (0.37) CAMKK2KDM4EMEN1KMT2ATDP1
SCHEMBL30281086 0.72 FASN (0.41) CAMKK2FASNKDM4E
SCHEMBL21241026 0.72 MAPT (0.46) CAMKK2KDM4EMEN1KMT2ATDP1
SCHEMBL27483638 0.71 ACMSD (0.41) CAMKK2KDM4EMEN1KMT2ATDP1
SCHEMBL30280916 0.70 CAMKK2 (0.39) CAMKK2
SCHEMBL27492056 0.70 ACMSD (0.43) CAMKK2KDM4EMEN1KMT2AMAPT

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-104507928-B Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2016-09-28 CN disclosed