SCHEMBL12835586

SCHEMBL12835586

CC(C)(C)OCCC(=O)NC1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
NCOR2 Q9Y618 1/20 0.47
EPHX1 P07099 3/20 0.47
EPHX2 P34913 1/20 0.45

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
SCHEMBL23651944 0.86 HPGD (0.53) HPGDSMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL12439651 0.83 NPSR1 (0.66) HPGDSMN1; SMN2ALDH1A1NPSR1KMT2A
SCHEMBL12439350 0.81 NPSR1 (0.62) HPGDSMN1; SMN2ALDH1A1NPSR1KMT2A
SCHEMBL1698458 0.81 NPSR1 (0.68) HPGDSMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL27353316 0.79 HPGD (0.49) HPGDSMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL23135469 0.79 NPSR1 (0.65) HPGDSMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL19750483 0.79 EPHX1 (0.59) SMN1; SMN2MAPTNPSR1EPHX1EPHX2
SCHEMBL10587847 0.78 ALDH1A1 (0.83) HPGDSMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL12858798 0.77 NPSR1 (0.58) HPGDSMN1; SMN2ALDH1A1NPSR1KMT2A
SCHEMBL9125344 0.77 HPGD (0.62) HPGDSMN1; SMN2ALDH1A1MAPTNPSR1

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-2292620-A2 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prohylaxis and treatment of disorders related thereto Arena Pharmaceuticals, Inc. (US) 2011-03-09 EP disclosed