SCHEMBL28875429

SCHEMBL28875429

O=C(CCc1ccc(C(F)(F)F)cc1O)CCc1ccc(C(F)(F)F)cc1O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ANO1 Q5XXA6 2/20 0.41
POLB P06746 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
CES2 O00748 2/20 0.40
IDO1 P14902 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
POLQ O75417 1/20 0.39
CHRNA7 P36544 1/20 0.39

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
SCHEMBL2393327 0.88 POLB (0.54) MEN1KMT2AANO1POLBPTGDR2
SCHEMBL27551256 0.83 IDO1 (0.50) MEN1KMT2APOLBCES2IDO1
SCHEMBL5435480 0.80 IDO1 (0.42) MEN1KMT2AANO1IDO1
SCHEMBL3135089 0.79 RXRA (0.53) MEN1KMT2AANO1CES2POLQ
SCHEMBL5438219 0.79 IDO1 (0.41) MEN1KMT2AANO1IDO1POLQ
SCHEMBL1988262 0.79 TYR (0.46) MEN1KMT2AANO1IDO1
SCHEMBL12806555 0.78 ESR1 (0.48) MEN1KMT2AANO1CES2IDO1
SCHEMBL27647753 0.78 CA3 (0.45) POLBCHRNA7
SCHEMBL28234868 0.78 TAS2R14 (0.40) MEN1KMT2APTGDR2CES2FFAR4
SCHEMBL27643679 0.78 ALDH1A1 (0.45) MEN1KMT2AFFAR4

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
CN-110049973-A 1, 4-diphenyl-1H-imidazole and 2, 4-diphenyl thiazole derivatives, and preparation method and application thereof 南方医科大学 2019-07-23 CN disclosed