SCHEMBL10264809

SCHEMBL10264809

Bc1cc(C(C)(C)C)sc1C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
RAF1 P04049 15/20 0.51
MAPK14 Q16539 8/20 0.51
MAPK13 O15264 1/20 0.51
MAPK12 P53778 1/20 0.51
MAPK11 Q15759 1/20 0.51
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL161668 0.81 RAF1 (0.56) L3MBTL1RAF1MAPK14MAPK13MAPK12
SCHEMBL1912421 0.79 RAF1 (0.51) L3MBTL1RAF1MAPK14MAPK13MAPK12
SCHEMBL173108 0.79 RAF1 (0.56) L3MBTL1RAF1MAPK14MAPK13MAPK12
SCHEMBL9965178 0.79 RAF1 (0.51) L3MBTL1RAF1MAPK14MAPK13MAPK12
SCHEMBL161941 0.79 L3MBTL1 (0.60) L3MBTL1RAF1MAPK14MAPK13MAPK12
SCHEMBL14467713 0.78 RAF1 (0.60) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL27928358 0.76 L3MBTL1 (0.57) L3MBTL1RAF1MAPK14MAPK13MAPK12
SCHEMBL13425471 0.76 RAF1 (0.65) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL3219082 0.76 RAF1 (0.48) L3MBTL1RAF1MAPK14MAPK13MAPK12
SCHEMBL10308320 0.76 RAF1 (0.69) RAF1MAPK14MAPK13MAPK12MAPK11

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-2012006055-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-12 WO disclosed