SCHEMBL7714010

SCHEMBL7714010

CC(C)(C)OC(=O)N[C@H]1CCN(Cc2cccc(Cl)c2-c2cccc(OCc3ccccc3)c2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 6/20 0.40
SLC16A1 P53985 6/20 0.40
MCTS1 Q9ULC4 6/20 0.40
XIAP P98170 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 1/20 0.39
IGF1R P08069 2/20 0.39
S1PR1 P21453 1/20 0.39
PRKX P51817 1/20 0.39
ACVR1 Q04771 1/20 0.39
S1PR5 Q9H228 1/20 0.39
SPHK1 Q9NYA1 2/20 0.38
SPHK2 Q9NRA0 1/20 0.38
SCN9A Q15858 1/20 0.38
NPY1R P25929 1/20 0.37
KDM2B Q8NHM5 1/20 0.37

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
SCHEMBL7714192 0.85 KMT2A (0.46) L3MBTL1KMT2ANPY1R
SCHEMBL7714189 0.85 KMT2A (0.46) L3MBTL1KMT2ANPY1R
SCHEMBL7936884 0.79 KMT2A (0.56) L3MBTL1KMT2ASCN9ANPY1R
SCHEMBL7927436 0.79 KMT2A (0.56) L3MBTL1KMT2ASCN9ANPY1R
SCHEMBL6818563 0.79 KMT2A (0.56) L3MBTL1KMT2ASCN9ANPY1R
SCHEMBL7718985 0.74 NPY1R (0.45) L3MBTL1KMT2ASCN9ANPY1R
SCHEMBL7718989 0.74 NPY1R (0.45) L3MBTL1KMT2ASCN9ANPY1R
SCHEMBL7714012 0.74 SLC6A5 (0.41) XIAPL3MBTL1KMT2AS1PR1S1PR5
SCHEMBL7714015 0.74 SLC6A5 (0.41) XIAPL3MBTL1KMT2AS1PR1S1PR5
SCHEMBL7214087 0.73 ACACB (0.42) L3MBTL1KMT2ASCN9ANPY1R

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
US-6441017-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2002-08-27 US disclosed