SCHEMBL28992880

SCHEMBL28992880

CCOC(=O)C(C)(CC1CC(F)(F)C1)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.38
MAPT P10636 1/20 0.33
HIF1A Q16665 1/20 0.33
ALOX15 P16050 1/20 0.32
APLNR P35414 1/20 0.32
LMNA P02545 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 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
SCHEMBL28992876 0.91 MMP8 (0.41) MMP8MAPTHIF1AAPLNRLMNA
SCHEMBL28992903 0.87 MMP8 (0.39) MMP8MAPTHIF1AAPLNRLMNA
SCHEMBL28992900 0.82 MAPT (0.34) MMP8MAPTHIF1AALOX15APLNR
SCHEMBL28992870 0.80 APLNR (0.36) APLNR
SCHEMBL28992874 0.75 MMP8 (0.38) MMP8MAPTHIF1AALOX15CYP4F2
SCHEMBL1861113 0.72 PKM (0.54) MAPTHIF1ALMNA
SCHEMBL30326594 0.72 MMP8 (0.43) MMP8ALOX15LMNACYP4F2CYP4A11
SCHEMBL20565608 0.71 MAPT (0.37) MMP8MAPTHIF1ALMNACYP4F2
SCHEMBL12632001 0.70 PKM (0.41) MAPTLMNACYP4F2CYP4A11
SCHEMBL18084133 0.68 MMP8 (0.40) MMP8MAPTCYP4F2CYP4A11

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-115872927-A AAK1 inhibitors and uses thereof 武汉人福创新药物研发中心有限公司 2023-03-31 CN disclosed