SCHEMBL1710583

SCHEMBL1710583

CC(C)(CBr)COC(=O)C(C)(C)C.CC(C)(CO)CBr

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.38
BTN3A1 O00481 1/20 0.33
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
SCHEMBL1710469 0.92 PRKCA (0.38) PRKCABTN3A1POLBGAANPSR1
SCHEMBL9348634 0.86 PRKCA (0.44) PRKCABTN3A1POLBGAANPSR1
SCHEMBL5445288 0.79 PRKCA (0.43) PRKCABTN3A1POLBGAANPSR1
SCHEMBL2386487 0.74 SERPINE1 (0.35)
SCHEMBL367694 0.73
SCHEMBL13686650 0.73 PRKCA (0.39) PRKCABTN3A1POLBGAANPSR1
SCHEMBL30669879 0.73 PRKCA (0.44) PRKCABTN3A1POLBGAANPSR1
SCHEMBL1204159 0.73 ALDH1A1 (0.40) GAA
SCHEMBL5493183 0.71
SCHEMBL24883882 0.71 PRKCA (0.38) PRKCAPOLBGAANPSR1CYP4F2

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-2344472-A1 ISOQUINOLINONE DERIVATIVES AstraZeneca AB (SE) 2011-07-20 EP disclosed
WO-2010039079-A1 ISOQUINOLINONE DERIVATIVES ASTRAZENECA AB (SE) 2010-04-08 WO disclosed