SCHEMBL6891492

SCHEMBL6891492

CCOC(=O)C1CCC(=CC(=O)CC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.38
HTT P42858 2/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.37
PDK1 Q15118 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 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
SCHEMBL2329373 0.80 MAPT (0.44) ESR2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3031033 0.80 ESR2 (0.57) ESR2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL165222 0.80 ALDH1A1 (0.45) ESR2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13469678 0.77 MAPT (0.46) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL28822221 0.77 MAPT (0.46) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL13280281 0.74 MAPT (0.44) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL29191227 0.74 MAPT (0.44) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL28881300 0.73 ALDH1A1 (0.39) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10290660 0.73 MAPT (0.43) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL849880 0.72 POLB (0.41) MAPTNPC1RAB9ASMN1; SMN2MEN1

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-2011002887-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS SCHERING CORPORATION (US) 2011-01-06 WO disclosed