SCHEMBL28992876

SCHEMBL28992876

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.41
MAPT P10636 1/20 0.35
HIF1A Q16665 1/20 0.35
APLNR P35414 1/20 0.35
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
LMNA P02545 1/20 0.33
EPHX2 P34913 1/20 0.33
PKM P14618 3/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CNR2 P34972 1/20 0.31
TRPA1 O75762 1/20 0.31
ABCB11 O95342 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
HTR2A P28223 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
SCHEMBL28992903 0.92 MMP8 (0.39) MMP8MAPTHIF1AAPLNRCYP4F2
SCHEMBL28992880 0.91 MMP8 (0.38) MMP8MAPTHIF1AAPLNRCYP4F2
SCHEMBL28992900 0.84 MAPT (0.34) MMP8MAPTHIF1AAPLNRCYP4F2
SCHEMBL30326594 0.80 MMP8 (0.43) MMP8CYP4F2CYP4A11LMNAPKM
SCHEMBL1861113 0.77 PKM (0.54) MAPTHIF1ALMNAPKMKDM4E
SCHEMBL18084133 0.76 MMP8 (0.40) MMP8MAPTCYP4F2CYP4A11PKM
SCHEMBL20565608 0.76 MAPT (0.37) MMP8MAPTHIF1ACYP4F2CYP4A11
SCHEMBL12632001 0.75 PKM (0.41) MAPTCYP4F2CYP4A11LMNAPKM
SCHEMBL22043088 0.73 SLC6A2 (0.39) MMP8MAPTCYP4F2CYP4A11PKM
SCHEMBL31192696 0.72 MMP8 (0.42) MMP8CYP4F2CYP4A11LMNAPKM

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