SCHEMBL9149208

SCHEMBL9149208

COc1ccc(C(=O)C(NC(=O)CCCCCC(C)C#N)c2ccc(OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.44
HDAC1 Q13547 4/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.40
CYP2D6 P10635 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR1A P08908 2/20 0.39
DRD2 P14416 2/20 0.39
HTR7 P34969 2/20 0.39
HTR6 P50406 2/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 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
SCHEMBL9149218 1.00 HDAC8 (0.44) HDAC8HDAC1ALDH1A1LMNAGAA
SCHEMBL9151555 0.87 HDAC1 (0.37) HDAC8HDAC1ALDH1A1KMT2AMEN1
SCHEMBL9151561 0.87 HDAC1 (0.37) HDAC8HDAC1ALDH1A1KMT2AMEN1
SCHEMBL9150366 0.84 ALDH1A1 (0.44) HDAC8HDAC1ALDH1A1GAA
SCHEMBL9147568 0.84 ALDH1A1 (0.44) HDAC8HDAC1ALDH1A1GAA
SCHEMBL9151342 0.83 HDAC8 (0.50) HDAC8HDAC1ALDH1A1LMNAGAA
SCHEMBL9147770 0.78 CNR2 (0.48) HDAC8HDAC1ALDH1A1LMNAGAA
SCHEMBL2528789 0.76 HDAC8 (0.45) HDAC8HDAC1ALDH1A1LMNAGAA
SCHEMBL6539670 0.69 ALDH1A1 (0.49) ALDH1A1GAAKMT2AMEN1
SCHEMBL6205477 0.68 HDAC3 (0.55) HDAC1ALDH1A1LMNAKMT2AMEN1

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-5403852-A Antiinflammatory agents LABORATOIRE ROGER BELLON (FR) 1995-04-04 US disclosed