SCHEMBL21393301

SCHEMBL21393301

CCCC(C)(C)CNC(=O)C(C)(C)CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.39
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CNR1 P21554 1/20 0.30

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
SCHEMBL19248359 0.78 KDM4C (0.40) MMP8MEN1KMT2ACYP2D6CYP2C19
SCHEMBL22893651 0.77 MMP8 (0.42) MMP8KMT2ACYP2D6CYP2C19
SCHEMBL12308385 0.77 MMP8 (0.35) MMP8CYP2D6CYP2C19
SCHEMBL23175464 0.74 MEN1 (0.34) MEN1KMT2ATDP1ALDH1A1
SCHEMBL6730282 0.73 ALDH1A1 (0.38) MEN1KMT2ATDP1CYP2D6CYP2C19
SCHEMBL22562731 0.72 MMP8 (0.42) MMP8TDP1
SCHEMBL19527202 0.72 EPHX1 (0.56) MMP8MEN1KMT2ACNR1
SCHEMBL22279903 0.72 MMP8 (0.30) MMP8
SCHEMBL21915798 0.71 PAOX (0.38) MEN1KMT2ATDP1ALDH1A1
SCHEMBL20371620 0.71 CYP2D6 (0.45) MMP8MEN1KMT2ATDP1CYP2D6

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-2019178699-A1 PRECISION GLYCOCONJUGATES AS THERAPEUTIC TOOLS KORANEX CAPITAL (CA) 2019-09-26 WO disclosed