SCHEMBL9217031

SCHEMBL9217031

c1ccc(Oc2cccc(Oc3ccccc3)c2-c2ccccc2-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.55
NCOA3 Q9Y6Q9 1/20 0.55
PTGS2 P35354 1/20 0.47
LTA4H P09960 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
BRD4 O60885 3/20 0.41
GSTP1 P09211 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
DPP4 P27487 1/20 0.41
ADORA2A P29274 1/20 0.40
HRH1 P35367 1/20 0.39
CTNNB1 P35222 1/20 0.39
RIPK1 Q13546 1/20 0.38

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
SCHEMBL497256 0.88 NCOA1 (0.55) NCOA1NCOA3PTGS2LTA4HTSHR
SCHEMBL3430781 0.83 NCOA1 (0.63) NCOA1NCOA3PTGS2LTA4HTSHR
SCHEMBL1675994 0.83 TSHR (0.46) NCOA1NCOA3PTGS2LTA4HTSHR
SCHEMBL1958156 0.83 NCOA1 (0.74) NCOA1NCOA3PTGS2LTA4HTSHR
SCHEMBL27963031 0.82 ALDH1A1 (0.55) LTA4HTSHRALDH1A1MAPK1HTT
SCHEMBL10746370 0.82 NCOA1 (0.49) NCOA1NCOA3PTGS2LTA4HTSHR
SCHEMBL6269997 0.82 NCOA1 (0.53) NCOA1NCOA3PTGS2LTA4HTSHR
SCHEMBL11826527 0.80 CYP2A6 (0.52) NCOA1NCOA3PTGS2ALDH1A1L3MBTL1
SCHEMBL2203394 0.80 NCOA1 (0.55) NCOA1NCOA3PTGS2LTA4HTSHR
SCHEMBL10755935 0.79 NCOA1 (0.69) NCOA1NCOA3PTGS2LTA4HTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
US-5015526-A Radiation-resistant high molecular composition TOYO SODA MANUFACTURING CO., LTD. (JP) 1991-05-14 US disclosed
US-4900766-A HALOGENATED ACENAPHTHYLENE OR CONDENSATE THEREOF, DIPHENYL ETHER COMPOUND TOYO SODA MANUFACTURING CO. (JP) 1990-02-13 US disclosed
EP-0261638-A2 Radiation-resistant high molecular composition Tosoh Corporation (JP) 1988-03-30 EP disclosed