SCHEMBL27742015

SCHEMBL27742015

CC(C)CC(C(=O)NC(C)CO)n1ccnc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP17A1 P05093 1/20 0.36
KMT2A Q03164 2/20 0.36
CYP24A1 Q07973 1/20 0.35
AAK1 Q2M2I8 1/20 0.33
CYP26A1 O43174 1/20 0.32

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
SCHEMBL27742013 1.00 KDM4E (0.38) KDM4EALDH1A1MAPTPKMHPGD
SCHEMBL27742014 0.82 KDM4E (0.41) KDM4EALDH1A1MAPTPKMHPGD
SCHEMBL27742016 0.82 KDM4E (0.41) KDM4EALDH1A1MAPTPKMHPGD
SCHEMBL27742114 0.81 KMT2A (0.39) KDM4EALDH1A1MAPTPKMHPGD
SCHEMBL27742115 0.81 KMT2A (0.39) KDM4EALDH1A1MAPTPKMHPGD
SCHEMBL27721147 0.80 CYP24A1 (0.57) KDM4EMAPTPKMKMT2ACYP24A1
SCHEMBL27721144 0.80 CYP24A1 (0.57) KDM4EMAPTPKMKMT2ACYP24A1
SCHEMBL27742117 0.77 KDM4E (0.37) KDM4EALDH1A1MAPTPKMHPGD
SCHEMBL27742116 0.77 KDM4E (0.37) KDM4EALDH1A1MAPTPKMHPGD
SCHEMBL28048795 0.71 CYP17A1 (0.44) KDM4ECYP17A1KMT2ACYP26A1

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
CN-101284816-B Chiral N-2-(glyoxaline-1-group) fatty acid amide and method for preparing same JINZHONG UNIVERSITY 2010-08-18 CN disclosed
CN-101284816-A Chiral N-2-(glyoxaline-1-group) fatty acid amide and method for preparing same JINZHONG UNIVERSITY (CN) 2008-10-15 CN disclosed