SCHEMBL8737348

SCHEMBL8737348

O=C(CCl)OC(c1ccccc1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 2/20 0.40
TRPA1 O75762 1/20 0.40
GSK3B P49841 1/20 0.40
HIF1A Q16665 1/20 0.40
TSHR P16473 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 2/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KLK7 P49862 2/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.35
GABRB1 P18505 1/20 0.35

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
SCHEMBL28888139 0.83 GABBR2 (0.39) MAPK1CRHBPCRHR2SMN1; SMN2POLB
SCHEMBL11223311 0.81 CYP2D6 (0.42) ALDH1A1MAPK1TSHRHTTPOLB
SCHEMBL27801809 0.80 POLB (0.41) MAPK1POLBNPSR1L3MBTL1GAA
SCHEMBL5932732 0.79 POLB (0.40) MAPK1POLBNPSR1L3MBTL1GAA
SCHEMBL11217782 0.79 ALDH1A1 (0.45) ALDH1A1MAPK1TRPA1GSK3BHIF1A
SCHEMBL5933483 0.77 POLB (0.39) MAPK1POLBNPSR1L3MBTL1GAA
SCHEMBL28852545 0.77 NPSR1 (0.44) MAPK1SMN1; SMN2POLBNPSR1L3MBTL1
SCHEMBL9217887 0.77 CRHBP (0.53) ALDH1A1MAPK1TRPA1GSK3BHIF1A
SCHEMBL9800752 0.75 POLB (0.35) MAPK1CRHBPCRHR2HTTPOLB
SCHEMBL4730584 0.75 ESR1 (0.40) MAPK1SMN1; SMN2POLBNPSR1L3MBTL1

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-0824096-A2 Process for the preparation of halogenated (meth)acrylic esters and poly (meth) arcylates obtained with said (meth)acrylic esters Akzo Nobel N.V. (NL) 1998-02-18 EP disclosed