SCHEMBL2059488

SCHEMBL2059488

c1ccc(-c2ccc(-c3ccccc3Oc3ccccc3-c3ccc(-c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.59
NCOA3 Q9Y6Q9 1/20 0.59
PTGS2 P35354 1/20 0.50
MAPK1 P28482 2/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48
HRH1 P35367 1/20 0.46
HTR7 P34969 1/20 0.46
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
BRD4 O60885 1/20 0.43
ADRB2 P07550 3/20 0.43
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
BCL2L1 Q07817 1/20 0.42
CYP2A6 P11509 1/20 0.42
AR P10275 1/20 0.41
XDH P47989 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
SCHEMBL112422 0.95 NCOA1 (0.63) NCOA1NCOA3PTGS2MAPK1TP53
SCHEMBL28431579 0.92 NCOA1 (0.61) NCOA1NCOA3PTGS2MAPK1TP53
Hydrogen Sulfide SCHEMBL27922694 0.92 NCOA1 (0.61) NCOA1NCOA3PTGS2MAPK1TP53
SCHEMBL10756496 0.92 NCOA1 (0.61) NCOA1NCOA3PTGS2MAPK1TP53
SCHEMBL28436320 0.92 NCOA1 (0.61) NCOA1NCOA3PTGS2MAPK1TP53
SCHEMBL6321993 0.92 NCOA1 (0.61) NCOA1NCOA3PTGS2MAPK1TP53
SCHEMBL9208935 0.89 NCOA1 (0.75) NCOA1NCOA3PTGS2MAPK1TP53
SCHEMBL27980899 0.88 BCL2L1 (0.54) NCOA1NCOA3PTGS2MAPK1TP53
Ethylene Glycol SCHEMBL29029323 0.86 NCOA1 (0.55) NCOA1NCOA3PTGS2MAPK1TP53
SCHEMBL2059490 0.85 NCOA1 (0.53) NCOA1NCOA3PTGS2MAPK1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4054533-A DIPHENYL ETHER, 2- OR 4-BIPHENYLYLPHENYL ETHER, TRIPHENYLPHENOL THE DOW CHEMICAL COMPANY (US) 1977-10-18 US claimed
US-7968220-B2 Non-aqueous electrolytic solution and lithium secondary battery UBE INDUSTRIES, LTD. (JP) 2011-06-28 US disclosed
US-20100079110-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND LITHIUM SECONDARY BATTERY HAMAMOTO TOSHIKAZU 2010-04-01 US disclosed
US-20060024585-A1 Non-aqueous electrolytic solution and lithium secondary battery HAMAMOTO TOSHIKAZU 2006-02-02 US disclosed
US-20020001756-A1 Non-aqueous electrolytic solution and lithium secondary battery UBE INDUSTRIES, LTD. 2002-01-03 US disclosed
US-4054533-A DIPHENYL ETHER, 2- OR 4-BIPHENYLYLPHENYL ETHER, TRIPHENYLPHENOL THE DOW CHEMICAL COMPANY (US) 1977-10-18 US disclosed
US-4054533-A DIPHENYL ETHER, 2- OR 4-BIPHENYLYLPHENYL ETHER, TRIPHENYLPHENOL THE DOW CHEMICAL COMPANY (US) 1977-10-18 US disclosed
US-4042603-A SUBSTITUTED DIBENZOFURAN OR 9-FLUORENONE FROM A DIPHENYL ETHER OR BENZOPHENONE UBE INDUSTRIES, LTD. (JA) 1977-08-16 US disclosed
US-3993700-A AQUEOUS CAUSTIC SOLUTION THE DOW CHEMICAL COMPANY (US) 1976-11-23 US disclosed