SCHEMBL9913652

SCHEMBL9913652

CC(C)c1ccccc1OC1CC(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM1A O60341 1/20 0.45
MAOB P27338 1/20 0.45
EPHX2 P34913 1/20 0.44
BTK Q06187 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
DRD2 P14416 2/20 0.38
NFKB1 P19838 4/20 0.38
NFKB2 Q00653 4/20 0.38
RELA Q04206 4/20 0.38
CACNB4 O00305 1/20 0.38
CACNA1A O00555 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNG3 O60359 1/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNB3 P54284 1/20 0.38
CACNA2D1 P54289 1/20 0.38

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
SCHEMBL30213340 0.81 KMT2A (0.49) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL25011528 0.81 KMT2A (0.46) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL28494137 0.80 IDO1 (0.41) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL28491942 0.80 IDO1 (0.41) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL30182719 0.79 KDM1A (0.56) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL25136336 0.79 KDM1A (0.56) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL9913834 0.78 DRD2 (0.49) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL29874413 0.78 SLC6A2 (0.45) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL9913653 0.78 DRD2 (0.49) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL30213238 0.78 KMT2A (0.43) KMT2AL3MBTL1KDM1AMAOBEPHX2

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
WO-2012072512-A1 N-CYCLOBUTYL-IMIDAZOPYRIDINE OR -PYRAZOLOPYRIDINE CARBOXAMIDES AS TRPV1 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-06-07 WO disclosed