SCHEMBL7790883

SCHEMBL7790883

C=CCOC(=O)c1ccccc1-c1ncc(C(O)C(F)(F)F)cn1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
ALDH1A1 P00352 3/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
RHOA P61586 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
FGFR1 P11362 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
SNCA P37840 1/20 0.34
MAPT P10636 1/20 0.34
LIG1 P18858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HCRTR2 O43614 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7856837 0.85 CYP3A4 (0.54) CYP3A4ALDH1A1TSHRHSD17B10ADRB2
SCHEMBL7785295 0.82 CYP3A4 (0.44) CYP3A4ALDH1A1TSHRHSD17B10ADRB2
SCHEMBL7790995 0.81 ADRB2 (0.39) TSHRHSD17B10ADRB2ADRB1ADRB3
SCHEMBL7794842 0.81 KMT2A (0.43) CYP3A4ALDH1A1TSHRHSD17B10ADRB2
SCHEMBL7793925 0.77 PRKCA (0.32)
SCHEMBL7793906 0.75 GABRA1 (0.39) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL6282689 0.75 CYP3A4 (0.82) CYP3A4ALDH1A1TSHRHSD17B10ADRB2
SCHEMBL8632716 0.72 ALDH1A1 (0.46) CYP3A4ALDH1A1TSHRHSD17B10ADRB2
Vinyl Chloride SCHEMBL8855429 0.72 CYP3A4 (0.89) CYP3A4ALDH1A1TSHRHSD17B10RHOA
SCHEMBL7794838 0.71 SNCA (0.42) CYP3A4ALDH1A1TSHRHSD17B10ADRB2

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