SCHEMBL186787

SCHEMBL186787

CC(C)(C)C(NC(=O)O)c1cccc(CO)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.43
OPRK1 P41145 5/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
OPRD1 P41143 1/20 0.40
OPRM1 P35372 1/20 0.39
BCHE P06276 3/20 0.38
BACE1 P56817 2/20 0.38
ADAMTS4 O75173 1/20 0.38
CTSB P07858 1/20 0.38
RIPK1 Q13546 1/20 0.38
SDCBP O00560 1/20 0.37
SDC2 P34741 1/20 0.37

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
SCHEMBL185475 0.81 PPARG (0.42) OPRK1OPRM1ADAMTS4
SCHEMBL665619 0.80 GPR139 (0.46) HPGDSOPRK1
SCHEMBL67172 0.79 ALDH1A1 (0.48)
SCHEMBL2459503 0.79 CPN1 (0.45) HPGDS
SCHEMBL5265186 0.77 MEN1 (0.43)
SCHEMBL18498972 0.75 HDAC8 (0.51)
SCHEMBL16989064 0.74 RECQL (0.38) PDK1PDK2PDK3PDK4
SCHEMBL2458450 0.74 HTT (0.53)
SCHEMBL2458448 0.74 HTT (0.53)
SCHEMBL5238900 0.74 BACE1 (0.43) OPRM1BACE1

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