SCHEMBL7785295

SCHEMBL7785295

C=CCOC(=O)c1ccc(C(O)C(F)(F)F)cc1-c1ncccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SNCA P37840 1/20 0.37
NTRK1 P04629 2/20 0.37
FGFR1 P11362 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RHOA P61586 1/20 0.33
ADRB2 P07550 3/20 0.33
ADRB1 P08588 3/20 0.33
ADRB3 P13945 3/20 0.33
HCRTR2 O43614 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
LMNA P02545 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
SCHEMBL7790883 0.82 CYP3A4 (0.50) CYP3A4ALDH1A1TSHRHSD17B10SNCA
SCHEMBL7785288 0.81 GAA (0.35) ALDH1A1TSHRHSD17B10NTRK1MEN1
SCHEMBL7794838 0.80 SNCA (0.42) CYP3A4ALDH1A1TSHRHSD17B10SNCA
SCHEMBL7795329 0.78 NTRK1 (0.35) NTRK1HCRTR2
SCHEMBL7791009 0.77 NTRK1 (0.35) ALDH1A1HSD17B10NTRK1MEN1KMT2A
SCHEMBL7794842 0.72 KMT2A (0.43) CYP3A4ALDH1A1TSHRHSD17B10SNCA
SCHEMBL7785299 0.72 KMO (0.43) CYP3A4FGFR1
SCHEMBL7856837 0.69 CYP3A4 (0.54) CYP3A4ALDH1A1TSHRHSD17B10SNCA
SCHEMBL7862166 0.69 SNCA (0.44) CYP3A4ALDH1A1TSHRHSD17B10SNCA
SCHEMBL8632716 0.67 ALDH1A1 (0.46) CYP3A4ALDH1A1TSHRHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0435632-B1 Phenylpyrimidine derivatives, process for preparing the same, liquid crystal compositions containing said derivatives as active ingredient, and liquid crystal elements using such compositions SUMITOMO CHEMICAL CO (JP) 2001-11-28 EP disclosed
EP-1067122-A2 Phenylpyrimidine derivatives, process for preparing the same, liquid crystal compositions containing said derivatives as active ingredient, and liquid crystal elements using such compositions SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-01-10 EP disclosed
US-5723610-A Alcohol reactants for forming phenylpyrimidine derivatives and process for preparing said alcohols SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-03-03 US disclosed
US-5539115-A FERROELECTRIC CRYSTALS FOR OPTICAL APPARATUS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-07-23 US disclosed
EP-0435632-A2 Phenylpyrimidine derivatives, process for preparing the same, liquid crystal compositions containing said derivatives as active ingredient, and liquid crystal elements using such compositions SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-07-03 EP disclosed