SCHEMBL1534071

SCHEMBL1534071

Cc1c(C(=O)O)ccc(OC(=O)OC(C)(C)C)c1C#N

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.37
KDM4E B2RXH2 3/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
XDH P47989 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
EPAS1 Q99814 1/20 0.32
CFD P00746 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NOTUM Q6P988 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA4 P48058 1/20 0.31
BRD4 O60885 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL310023 0.78 MAPT (0.47) KDM4EHPGDHSD17B10SLC22A12MAPT
SCHEMBL27053061 0.73 KDM4E (0.44) ELANEKDM4EHPGDHSD17B10MRGPRX4
SCHEMBL3107355 0.71 NOTUM (0.40) KDM4EHPGDHSD17B10XDHSLC22A12
SCHEMBL1914042 0.70 KDM4E (0.67) ELANEKDM4EHPGDHSD17B10MAPT
SCHEMBL29574839 0.70 KDM4E (0.67) ELANEKDM4EHPGDHSD17B10MAPT
SCHEMBL2650251 0.70 CSNK2A1 (0.44) ELANEXDHSLC22A12NOTUMALDH1A1
SCHEMBL28314003 0.69 ALDH1A1 (0.39) KDM4EHSD17B10MAPTNOTUMGRIA2
SCHEMBL22408774 0.69 TDP1 (0.47) ELANEKDM4EHPGDHSD17B10MRGPRX4
SCHEMBL8141458 0.68 NOTUM (0.49) KDM4EHPGDMRGPRX4MAPTTDP1
SCHEMBL28992458 0.68 EPAS1 (0.41) KDM4EEPAS1MAPTNOTUMGRIA2

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
EP-2470500-A2 TETRACYCLINE COMPOUNDS Tetraphase Pharmaceuticals, Inc. (US) 2012-07-04 EP disclosed
WO-2011025982-A2 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. (US) 2011-03-03 WO disclosed