SCHEMBL8373334

SCHEMBL8373334

OCCCOc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.51
FFAR1 O14842 2/20 0.51
SCN5A Q14524 2/20 0.50
CYP2C9 P11712 1/20 0.50
HRH2 P25021 1/20 0.49
HRH1 P35367 1/20 0.49
HDAC1 Q13547 4/20 0.48
HDAC2 Q92769 4/20 0.48
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
MCHR1 Q99705 1/20 0.45
MAOB P27338 1/20 0.44
AOC3 Q16853 1/20 0.44

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
SCHEMBL2093067 0.94 FFAR4 (0.48) FFAR4FFAR1SCN5ACYP2C9HRH2
SCHEMBL2089956 0.89 ALDH1A1 (0.54) FFAR4FFAR1SCN5ACYP2C9HRH2
SCHEMBL2090929 0.87 PDK2 (0.47) FFAR4FFAR1SCN5ACYP2C9HDAC1
SCHEMBL13750033 0.87 PDK2 (0.47) FFAR4FFAR1SCN5ACYP2C9HDAC1
SCHEMBL8955470 0.87 PDK2 (0.47) FFAR4FFAR1SCN5ACYP2C9HDAC1
SCHEMBL2719251 0.84 ALDH1A1 (0.56) CYP2C9HDAC1HDAC2HDAC3HDAC4
SCHEMBL8660388 0.84 ALDH1A1 (0.56) CYP2C9HDAC1HDAC2HDAC3HDAC4
SCHEMBL8955539 0.84 HDAC1 (0.50) FFAR4FFAR1SCN5ACYP2C9HDAC1
SCHEMBL18644008 0.81 APP (0.51) FFAR4FFAR1SCN5ACYP2C9MCHR1
SCHEMBL2056313 0.80 HRH2 (0.50) FFAR4FFAR1SCN5ACYP2C9HRH2

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
EP-0679633-B1 Diaminobenzene derivatives and polyimides prepared therefrom NISSAN CHEMICAL IND LTD (JP) 1999-11-03 EP disclosed
US-5861534-A CHEMICAL INTERMEDIATES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-01-19 US disclosed
US-5665856-A Diaminobenzene derivatives and polyimides prepared therefrom NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-09 US disclosed
EP-0679633-A1 Diaminobenzene derivatives and polyimides prepared therefrom NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1995-11-02 EP disclosed