SCHEMBL7088056

SCHEMBL7088056

O=C1OC(=O)Oc2cc3c(cc2O1)Oc1cc2c(cc1C3(c1ccccc1)C(F)(F)F)OC(=O)OC(=O)O2

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
BRCA1 P38398 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL11887458 0.81 TP53 (0.33) TP53ALDH1A1CYP2C9HPGDALOX15
SCHEMBL11887457 0.81 TDP1 (0.34) TP53HPGDALOX15
SCHEMBL9455519 0.80 PDK2 (0.31)
SCHEMBL9688178 0.79 GPR35 (0.32)
SCHEMBL9221863 0.78 PDK2 (0.37) ALDH1A1CYP2C9HPGDALOX15HSD17B10
SCHEMBL9220858 0.77 PDK2 (0.36) ALDH1A1CYP2C9HPGDALOX15HSD17B10
SCHEMBL23045135 0.77 MEN1 (0.31)
SCHEMBL1099586 0.77 PDK2 (0.38) ALDH1A1CYP2C9HPGDALOX15HSD17B10
SCHEMBL9455467 0.75 PDK2 (0.39) ALDH1A1
SCHEMBL15801313 0.75

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
EP-0768559-B1 Active-matrix liquid crystal displays with polyimide alignment films from 2,2-bis(3,4-dicarboxyphenyl)hexafluoropropane, dianhydride and ortho-substituted aromatic diamines DU PONT (US) 2003-08-13 EP claimed