SCHEMBL7079172

SCHEMBL7079172

CC(C)(C)CCNc1ncccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 3/20 0.57
HPGD P15428 1/20 0.57
HSD17B10 Q99714 1/20 0.57
DHODH Q02127 8/20 0.51
LMNA P02545 4/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
HTT P42858 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
MAPT P10636 2/20 0.47
GLA P06280 1/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC6 Q9UBN7 1/20 0.45
PKM P14618 2/20 0.44

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
SCHEMBL8826118 0.83 KDM4E (0.75) KDM4EALDH1A1HPGDHSD17B10DHODH
SCHEMBL2087895 0.82 HTT (0.57) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL15635912 0.81 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10DHODH
SCHEMBL6168326 0.80 DHODH (0.58) KDM4EALDH1A1HPGDHSD17B10DHODH
SCHEMBL9239004 0.79 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10DHODH
SCHEMBL1523166 0.79 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10DHODH
SCHEMBL28099069 0.79 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10DHODH
SCHEMBL4611285 0.78 DHODH (0.60) KDM4EALDH1A1HPGDHSD17B10DHODH
SCHEMBL15636237 0.78 MAPT (0.73) KDM4EALDH1A1HPGDHSD17B10DHODH
SCHEMBL24925568 0.78 MAPT (0.49) KDM4EALDH1A1HPGDHSD17B10LMNA

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
WO-2003059356-A2 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2003-07-24 WO claimed
WO-2003059356-A2 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2003-07-24 WO disclosed