SCHEMBL2483197

SCHEMBL2483197

CC(C)(C)OC(=O)NCc1ccc(OCCOc2ccc(Br)nc2C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
HDAC1 Q13547 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
FAAH O00519 4/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NAMPT P43490 1/20 0.39
SUCNR1 Q9BXA5 1/20 0.38

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
SCHEMBL595040 0.91 L3MBTL1 (0.44) L3MBTL1CA12CA1CA2CA9
SCHEMBL594740 0.78 EGFR (0.42) HDAC1FAAHMAPTMEN1KMT2A
SCHEMBL595157 0.76 CA12 (0.41) CA12CA1CA2CA9MAPT
SCHEMBL23462113 0.76 L3MBTL1 (0.54) L3MBTL1CA12CA1CA2CA9
SCHEMBL2483992 0.76 ALDH1A1 (0.53) L3MBTL1MAPTMEN1KMT2A
SCHEMBL11904717 0.75 ALDH1A1 (0.52) L3MBTL1CA12CA1CA2CA9
SCHEMBL13283942 0.75 PPARG (0.45) L3MBTL1HDAC1MAPTTDP1RECQL
SCHEMBL10227120 0.75 FAAH (0.64) L3MBTL1CA12CA1CA2CA9
SCHEMBL595225 0.75 CA12 (0.52) L3MBTL1CA12CA1CA2CA9
SCHEMBL594528 0.74 FAAH (0.50) L3MBTL1CA12CA1CA2CA9

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-2376085-A1 COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-10-19 EP disclosed
WO-2010080478-A1 COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-07-15 WO disclosed