SCHEMBL14770895

SCHEMBL14770895

COc1ccc2ccccc2c1-c1cccn1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
MET P08581 1/20 0.38
AXL P30530 1/20 0.38
MERTK Q12866 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
TNK2 Q07912 1/20 0.38
ATR Q13535 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 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
SCHEMBL29780523 0.84 HSP90AA1 (0.52) HSP90AA1HSP90AB1ALDH1A1PIK3R1PIK3CA
SCHEMBL23303434 0.84 HSP90AA1 (0.52) HSP90AA1HSP90AB1ALDH1A1PIK3R1PIK3CA
SCHEMBL14770871 0.81 HSP90AA1 (0.49) HSP90AA1HSP90AB1ALDH1A1PIK3R1PIK3CA
SCHEMBL19953372 0.78 HSP90AA1 (0.51) HSP90AA1HSP90AB1MEN1KMT2APIK3R1
SCHEMBL14770848 0.77 HSP90AA1 (0.47) HSP90AA1HSP90AB1ALDH1A1PIK3R1PIK3CA
SCHEMBL28423732 0.76 HSP90AA1 (0.46) HSP90AA1HSP90AB1MEN1KMT2ARAB9A
SCHEMBL1864665 0.74 HSP90AA1 (0.49) HSP90AA1HSP90AB1PIK3R1PIK3CATNK2
SCHEMBL22036737 0.73 HSP90AA1 (0.53) HSP90AA1HSP90AB1PIK3R1PIK3CAMET
SCHEMBL31518171 0.73 JAK2 (0.45) HSP90AA1HSP90AB1PIK3R1PIK3CAMET
SCHEMBL5991785 0.73 HSP90AA1 (0.44) HSP90AA1HSP90AB1MEN1KMT2ASMN1; SMN2

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-2013035303-A1 ORGANIC THIN FILM SOLAR CELL MATERIAL 出光興産株式会社 (JP) 2013-03-14 WO disclosed