SCHEMBL4376113

SCHEMBL4376113

CC1=CC=C(C(c2ccc(C(O)c3ccc(C)cc3)[nH]2)c2ccc(C(O)c3ccc(C)cc3)[nH]2)CC1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.33
MLKL Q8NB16 1/20 0.33

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
SCHEMBL439140 0.78 MLKL (0.41) MLKL
SCHEMBL13814969 0.73 MLKL (0.44) MLKL
SCHEMBL10073877 0.73 MLKL (0.44) MLKL
SCHEMBL8986307 0.69 MLKL (0.40) MLKL
SCHEMBL4388274 0.66 MLKL (0.31) MLKL
SCHEMBL14282583 0.66 MLKL (0.40) MLKL
SCHEMBL10297403 0.65 MLKL (0.35) MLKL
SCHEMBL12907090 0.64 PTPN1 (0.39) PTPN1
SCHEMBL96180 0.62 ACHE (0.50) MLKL
Hydrochloric Acid SCHEMBL29699724 0.61 ACHE (0.47) MLKL

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-8173630-B2 Multipodal tethers for high-density attachment of redox-active moieties to substrates THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-08 US disclosed