SCHEMBL12326830

SCHEMBL12326830

C=Cc1oc(C(C)(C)C)cc1CC

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.31
ALOX15 P16050 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
SCHEMBL18854671 0.76 CA1 (0.37) MEN1KMT2A
SCHEMBL6901506 0.72 MEN1 (0.37) MEN1KMT2AMAPK1L3MBTL1TP53
SCHEMBL13295080 0.72 L3MBTL1 (0.48) MEN1KMT2AMAPK1L3MBTL1TP53
SCHEMBL24349677 0.68 ALOX15 (0.36) L3MBTL1ALOX15
SCHEMBL7327170 0.63 MEN1 (0.48) MEN1KMT2AMAPK1L3MBTL1TP53
SCHEMBL6965763 0.61 L3MBTL1 (0.45) MEN1KMT2AMAPK1L3MBTL1TP53
SCHEMBL8294084 0.61 CYP2D6 (0.49) MEN1KMT2AL3MBTL1
SCHEMBL10787662 0.59 ALOX15 (0.44) MEN1KMT2AMAPK1L3MBTL1TP53
SCHEMBL14788303 0.59 MEN1 (0.39) MEN1KMT2AMAPK1L3MBTL1TP53
SCHEMBL28924744 0.59 GRIN2D (0.32)

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-2011117381-A1 B-RAF KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-29 WO disclosed