SCHEMBL8912816

SCHEMBL8912816

Cc1cc(O)c(C2CCCCC2)cc1C(c1cc(C2CCCCC2)c(O)cc1C)c1ccc(O)cc1O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.36
NUDT1 P36639 1/20 0.36
BACE1 P56817 1/20 0.36
TYR P14679 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HSP90AB1 P08238 2/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
THPO P40225 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
SCHEMBL30899216 0.90 NUDT1 (0.37) HSP90AA1NUDT1BACE1ALDH1A1MAPT
SCHEMBL9137218 0.89 TRPA1 (0.41) HSP90AA1NUDT1BACE1
SCHEMBL19806865 0.89 TYR (0.34) HSP90AA1NUDT1BACE1TYRALDH1A1
SCHEMBL278769 0.89 NUDT1 (0.40) HSP90AA1NUDT1BACE1MAPTCYP1A2
SCHEMBL278735 0.86 NUDT1 (0.42) HSP90AA1NUDT1BACE1MAPTCYP1A2
SCHEMBL29499852 0.85 NUDT1 (0.37) HSP90AA1NUDT1BACE1
SCHEMBL30127784 0.85 NUDT1 (0.37) HSP90AA1NUDT1BACE1ALDH1A1MAPT
SCHEMBL29375612 0.85 NUDT1 (0.37) HSP90AA1NUDT1BACE1ALDH1A1MAPT
SCHEMBL29372915 0.85 NUDT1 (0.37) HSP90AA1NUDT1BACE1
SCHEMBL757158 0.85 NUDT1 (0.37) HSP90AA1NUDT1BACE1ALDH1A1MAPT

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
US-5702861-A BLEND OF ALKALI SOLUBLE RESIN, QUINONE DIAZIDE COMPOUND AND AN AROMATIC POLYHYDROXY COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 1997-12-30 US disclosed