SCHEMBL4689641

SCHEMBL4689641

CC(CCC(CNC(=O)COc1ccc(Cl)cc1)c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
ALDH1A1 P00352 1/20 0.52
ADAMTS5 Q9UNA0 2/20 0.51
MAPT P10636 3/20 0.49
THRB P10828 2/20 0.49
HTT P42858 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
MAPK1 P28482 1/20 0.49
HPGD P15428 1/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46

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
SCHEMBL4688671 0.86 TSHR (0.51) LMNAL3MBTL1ALDH1A1ADAMTS5MAPT
SCHEMBL4692247 0.80 ADAMTS5 (0.54) LMNAL3MBTL1ALDH1A1ADAMTS5MAPT
SCHEMBL4693971 0.79 THRB (0.53) LMNAL3MBTL1ALDH1A1ADAMTS5MAPT
SCHEMBL13113991 0.78 THRB (0.57) LMNAL3MBTL1ALDH1A1ADAMTS5MAPT
SCHEMBL28333236 0.75 RAB9A (0.48) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL10872622 0.72 POLB (0.60) L3MBTL1ALDH1A1ADAMTS5KMT2AMEN1
SCHEMBL11664167 0.72 SMN1; SMN2 (0.72) LMNAL3MBTL1ALDH1A1MAPTHTT
SCHEMBL3528214 0.71 SMN1; SMN2 (0.54) LMNAL3MBTL1ALDH1A1THRBKMT2A
SCHEMBL14112020 0.71 KMT2A (0.79) L3MBTL1ALDH1A1ADAMTS5THRBHTT
SCHEMBL27917919 0.71 LMNA (0.49) LMNAL3MBTL1ALDH1A1ADAMTS5THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1496838-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2008-07-02 EP claimed
EP-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 EP claimed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 WO claimed
EP-1496838-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2008-07-02 EP disclosed
EP-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 EP disclosed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 WO disclosed