SCHEMBL8288276

SCHEMBL8288276

CC(C)CC1(C)NC(=N)N(Cc2cccc(-c3ccc(C(C)C(C)C)cc3)c2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.36
LMNA P02545 1/20 0.36
TACR1 P25103 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
PPARG P37231 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL7511298 0.90 TACR1 (0.40) PTGS2LMNATACR1ALDH1A1GAA
SCHEMBL17568824 0.86 LMNA (0.36) PTGS2LMNATACR1SMN1; SMN2ATM
SCHEMBL7532125 0.86 LMNA (0.46) LMNAL3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL7527783 0.85 LMNA (0.38) LMNATACR1ALDH1A1GAAL3MBTL1
SCHEMBL7532198 0.85 LMNA (0.39) PTGS2LMNATACR1ALDH1A1SMN1; SMN2
SCHEMBL7531882 0.85 LMNA (0.37) LMNATACR1ALDH1A1GAAL3MBTL1
SCHEMBL7528118 0.84 LMNA (0.37) LMNATACR1ALDH1A1GAAL3MBTL1
SCHEMBL7526605 0.83 LMNA (0.51) LMNAALDH1A1L3MBTL1SMN1; SMN2MEN1
SCHEMBL7526362 0.82 LMNA (0.37) LMNASMN1; SMN2PPARG
SCHEMBL7532384 0.82 SMN1; SMN2 (0.45) LMNATACR1SMN1; SMN2ATM

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-2005058311-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2005-06-30 WO disclosed