SCHEMBL7769381

SCHEMBL7769381

CCCOc1nc(O)cc(C(F)(F)F)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.46
PTGS1 P23219 3/20 0.46
RXRA P19793 3/20 0.42
RXRB P28702 3/20 0.42
RXRG P48443 2/20 0.35
PPARG P37231 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
FPR2 P25090 1/20 0.34
PPARA Q07869 1/20 0.33
PDE5A O76074 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 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
SCHEMBL30657772 0.82 LTA4H (0.38) PTGS2PTGS1HSD17B10ALDH1A1MAPT
SCHEMBL7769189 0.79 ESR1 (0.40) PTGS2PTGS1RXRARXRBHSD17B10
SCHEMBL601281 0.78 HSD17B10 (0.54) PTGS2PTGS1RXRARXRBHSD17B10
SCHEMBL5998545 0.73 PTGS1 (0.51) PTGS2PTGS1RXRARXRBHSD17B10
SCHEMBL17584792 0.73 LTA4H (0.41) PTGS2PTGS1ALDH1A1MAPTMEN1
SCHEMBL9519023 0.73 CYP2C19 (0.35) HSP90AA1HSP90AB1ALDH1A1MAPTMEN1
SCHEMBL9843933 0.70 GPR84 (0.37) PTGS2PTGS1HSP90AA1HSP90AB1HPGD
SCHEMBL7776188 0.69 MEN1 (0.39) PTGS2PTGS1HSD17B10ALDH1A1MAPT
SCHEMBL19510618 0.68 FFAR4 (0.41) PTGS2PTGS1FFAR4ALDH1A1MAPT
SCHEMBL603692 0.67 HSP90AA1 (0.44) HSD17B10HSP90AA1HSP90AB1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0798297-B1 Process for the preparation of 2-alkoxy-6-(trifluoromethyl)-pyrimidine-4-ol LONZA AG (CH) 2001-10-31 EP disclosed
US-5717096-A Process for the preparation of a 2-alkoxy-6-(trifluoromethyl)pyrimidin-4-ol LONZA AG (CH) 1998-02-10 US disclosed
EP-0798297-A1 Process for the preparation of 2-alkoxy-6-(triflourmethyl)-pyrimidin-4-ol LONZA AG (CH) 1997-10-01 EP disclosed