SCHEMBL185475

SCHEMBL185475

CC(C)(C)C(NC(=O)O)c1ccc(CO)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
PDE2A O00408 8/20 0.42
OPRM1 P35372 1/20 0.41
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
EPHX2 P34913 1/20 0.39
ADAMTS4 O75173 1/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PHGDH O43175 1/20 0.36
HTT P42858 1/20 0.36
OPRK1 P41145 1/20 0.36
SLC22A12 Q96S37 1/20 0.36

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
SCHEMBL5238900 0.85 BACE1 (0.43) PDE2AOPRM1KEAP1NFE2L2LMNA
SCHEMBL186787 0.81 HPGDS (0.43) OPRM1ADAMTS4OPRK1
SCHEMBL2384740 0.79 CNR2 (0.41) PDE2AOPRM1LMNASMN1; SMN2ALDH1A1
SCHEMBL21774502 0.77 HTT (0.50) LMNASMN1; SMN2ALDH1A1PHGDHHTT
SCHEMBL2328745 0.77 HTT (0.50) LMNASMN1; SMN2ALDH1A1PHGDHHTT
SCHEMBL2238200 0.77 HTT (0.50) LMNASMN1; SMN2ALDH1A1PHGDHHTT
SCHEMBL1935307 0.77 PPARG (0.42) PPARGPPARAEPHX2ADAMTS4LMNA
SCHEMBL2240306 0.75 PRSS1 (0.44) PPARGPPARAEPHX2ADAMTS4SMN1; SMN2
SCHEMBL16989064 0.73 RECQL (0.38) PPARGPPARAPDE2ALMNASMN1; SMN2
SCHEMBL3976209 0.72 HSD17B10 (0.40) PDE2ALMNASMN1; SMN2ALDH1A1

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-2401270-A1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2012-01-04 EP disclosed
WO-2010097395-A1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-09-02 WO disclosed