SCHEMBL14255665

SCHEMBL14255665

Cc1cc(O)c(C2CCCCC2)cc1C(CC(C)c1ccc(O)c(C2CCCCC2)c1)c1cc(C2CCCCC2)c(O)cc1C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.40
BACE1 P56817 1/20 0.40
HSP90AA1 P07900 1/20 0.38
THRB P10828 3/20 0.35
THRA P10827 2/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.32
APP P05067 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
PTGDR Q13258 1/20 0.31
LNPEP Q9UIQ6 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.30
ADRB2 P07550 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
SCHEMBL12526577 0.92 NUDT1 (0.40) NUDT1BACE1HSP90AA1THRBTHRA
SCHEMBL29381715 0.87 NUDT1 (0.37) NUDT1BACE1HSP90AA1THRBTHRA
SCHEMBL29706608 0.87 NUDT1 (0.37) NUDT1BACE1HSP90AA1THRBTHRA
SCHEMBL30345205 0.87 NUDT1 (0.37) NUDT1BACE1HSP90AA1THRBTHRA
SCHEMBL27626 0.87 NUDT1 (0.37) NUDT1BACE1HSP90AA1THRBTHRA
SCHEMBL9816539 0.86 NUDT1 (0.35) NUDT1BACE1HSP90AA1THRBTHRA
SCHEMBL3146459 0.86 NUDT1 (0.47) NUDT1BACE1HSP90AA1THRBTHRA
SCHEMBL10766332 0.85 NUDT1 (0.44) NUDT1BACE1HSP90AA1THRBTHRA
SCHEMBL3184220 0.85 NUDT1 (0.40) NUDT1BACE1HSP90AA1THRBTHRA
SCHEMBL8975998 0.83 LNPEP (0.39) NUDT1BACE1HSP90AA1THRBTHRA

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
EP-1391296-B1 Presensitized lithographic plate comprising microcapsules FUJIFILM CORP (JP) 2008-03-26 EP disclosed