SCHEMBL4950338

SCHEMBL4950338

COC(=O)Cc1cccc(OCC(C)CNCC(C)c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.54
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SLC7A5 Q01650 1/20 0.43
NR1H3 Q13133 2/20 0.41
NR1H2 P55055 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ABCB1 P08183 2/20 0.39
GPR88 Q9GZN0 1/20 0.39

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
SCHEMBL4950334 1.00 BCHE (0.54) BCHEMEN1KMT2ASLC7A5NR1H3
SCHEMBL4947620 1.00 BCHE (0.54) BCHEMEN1KMT2ASLC7A5NR1H3
SCHEMBL3978325 0.92 BCHE (0.44) BCHEMEN1KMT2ASLC7A5NR1H3
SCHEMBL3978329 0.92 BCHE (0.44) BCHEMEN1KMT2ASLC7A5NR1H3
SCHEMBL4951131 0.85 BCHE (0.54) BCHEMEN1KMT2ANR1H3KDM4E
SCHEMBL4951146 0.85 BCHE (0.54) BCHEMEN1KMT2ANR1H3KDM4E
SCHEMBL3979279 0.83 NR1H3 (0.52) BCHEKMT2ANR1H3NR1H2KDM4E
SCHEMBL3979283 0.83 NR1H3 (0.52) BCHEKMT2ANR1H3NR1H2KDM4E
SCHEMBL4952918 0.80 BCHE (0.50) BCHEMEN1KMT2ASLC7A5NR1H3
SCHEMBL4952931 0.80 BCHE (0.50) BCHEMEN1KMT2ASLC7A5NR1H3

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-7365085-B2 Compounds and methods SMITHKLINE BEECHAM CORPORATION (US) 2008-04-29 US disclosed