SCHEMBL9208935

SCHEMBL9208935

c1ccc(-c2ccc(Oc3ccccc3-c3ccccc3)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.75
NCOA3 Q9Y6Q9 1/20 0.75
PTGS2 P35354 1/20 0.59
FFAR4 Q5NUL3 3/20 0.55
BRD4 O60885 3/20 0.51
AR P10275 1/20 0.49
GSTP1 P09211 1/20 0.48
FFAR1 O14842 1/20 0.46
SCN9A Q15858 1/20 0.46
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
HTR2A P28223 1/20 0.44
SLC6A4 P31645 1/20 0.44
HRH1 P35367 1/20 0.42
HTR7 P34969 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL10711068 0.91 NCOA1 (0.69) NCOA1NCOA3PTGS2FFAR4BRD4
SCHEMBL1958156 0.91 NCOA1 (0.74) NCOA1NCOA3PTGS2FFAR4BRD4
SCHEMBL2059488 0.89 NCOA1 (0.59) NCOA1NCOA3PTGS2FFAR4BRD4
SCHEMBL10755935 0.87 NCOA1 (0.69) NCOA1NCOA3PTGS2FFAR4BRD4
SCHEMBL7791391 0.87 NCOA1 (0.69) NCOA1NCOA3PTGS2FFAR4BRD4
SCHEMBL21178076 0.86 NCOA1 (0.58) NCOA1NCOA3PTGS2FFAR4
SCHEMBL2867449 0.86 ALDH1A1 (0.58) NCOA1NCOA3PTGS2GSTP1MAPK1
SCHEMBL29351899 0.86 NCOA1 (1.00) NCOA1NCOA3PTGS2FFAR4BRD4
SCHEMBL1016806 0.86 NCOA1 (1.00) NCOA1NCOA3PTGS2FFAR4BRD4
SCHEMBL1096473 0.86 NCOA1 (0.68) NCOA1NCOA3PTGS2FFAR4BRD4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5147353-A None JP disclosed
US-5464569-A In situ formation of alkali metal oxalates in polyphenylene ether basestock MONSANTO COMPANY (US) 1995-11-07 US disclosed
US-5439614-A Colloidal dispersion of aromatic ether and oxidation inhibiting amount of alkali metal salt of oxalic acid MONSANTO COMPANY (US) 1995-08-08 US disclosed
JP-H05147353-A THERMAL RECORDING MATERIAL MITSUI TOATSU CHEM INC 1993-06-15 JP disclosed