SCHEMBL8633404

SCHEMBL8633404

CC(C)C[C@](C)(O)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.33
MMP8 P22894 1/20 0.33
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
FDPS P14324 1/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
SLC7A5 Q01650 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PIK3CD O00329 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
SCHEMBL17037419 1.00 AR (0.33) ARMMP8GRM2GRM3FDPS
SCHEMBL4552961 0.83 CYP1A2 (0.35) FDPS
SCHEMBL12308676 0.80 MMP8 (0.33) MMP8GRM2GRM3CYP2C19SLC7A5
SCHEMBL3565109 0.77 TSHR (0.43) ARMMP8GRM2GRM3CYP2C19
SCHEMBL3248330 0.77 TSHR (0.43) ARMMP8GRM2GRM3CYP2C19
SCHEMBL8495466 0.77 TSHR (0.43) ARMMP8GRM2GRM3CYP2C19
SCHEMBL3718753 0.77 MMP8 (0.34) MMP8GRM2GRM3CYP2C19SLC7A5
SCHEMBL4659753 0.77 MMP8 (0.34) MMP8GRM2GRM3CYP2C19SLC7A5
SCHEMBL28743867 0.77 FDPS (0.33) MMP8GRM2GRM3FDPSCYP2C19
SCHEMBL1782336 0.77 ALDH1A1 (0.38) ARMMP8CYP2C19ALDH1A1TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821675-A1 NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-02-04 EP disclosed
WO-1996033176-A1 NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-10-24 WO disclosed