SCHEMBL11904840

SCHEMBL11904840

CCCC(CC)(NC(=O)CCc1ccccc1)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.54
HPGD P15428 1/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
GAA P10253 2/20 0.44
HDAC1 Q13547 3/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CNR2 P34972 1/20 0.41

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
SCHEMBL11904827 0.92 CTSB (0.58) CTSBHPGDMAPTHTTHDAC3
SCHEMBL19792104 0.77 HPGD (0.49) CTSBHPGDMAPTHTTHDAC3
SCHEMBL16050236 0.75 HPGD (0.51) CTSBHPGDMAPTHTTHDAC3
SCHEMBL28356366 0.75 ALDH1A1 (0.51) GAAALDH1A1KMT2A
SCHEMBL19791937 0.74 HPGD (0.49) CTSBHPGDMAPTHTTHDAC3
SCHEMBL3929927 0.74 CTSB (0.52) CTSBHDAC3HDAC2HDAC8HDAC6
SCHEMBL3929925 0.74 CTSB (0.52) CTSBHDAC3HDAC2HDAC8HDAC6
SCHEMBL28352595 0.74 RAB9A (0.51) CTSBMAPTGAAALDH1A1KDM4E
SCHEMBL12376675 0.73 HDAC2 (0.61) HPGDMAPTHTTHDAC3HDAC2
SCHEMBL28356497 0.71 RAB9A (0.51) CTSBMAPTGAAALDH1A1KDM4E

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
EP-2486011-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 Bristol-Myers Squibb Company (US) 2012-08-15 EP disclosed