SCHEMBL7790995

SCHEMBL7790995

C=CCOc1ccccc1-c1ncc(C(O)C(F)(F)F)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
SLC22A1 O15245 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
HTR1A P08908 1/20 0.39
CYP2D6 P10635 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LIG1 P18858 1/20 0.37
ADRB3 P13945 1/20 0.36
PTPRC P08575 1/20 0.35
MAPT P10636 2/20 0.35
GCGR P47871 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL7863562 0.84 ADRB2 (0.46) ADRB2ADRB1SLC22A1LMNACYP1A2
SCHEMBL7793925 0.83 PRKCA (0.32) TBXA2RPTGER1
SCHEMBL7790883 0.81 CYP3A4 (0.50) ADRB2ADRB1TSHRHSD17B10LIG1
SCHEMBL7793906 0.81 GABRA1 (0.39) ADRB2ADRB1LMNACYP1A2HTR1A
SCHEMBL7785288 0.80 GAA (0.35) ADRB2ADRB1SLC22A1LMNACYP1A2
SCHEMBL24653824 0.76 HPGD (0.45) ADRB2ADRB1SLC22A1LMNACYP1A2
SCHEMBL8517374 0.74 ADRB2 (0.44) ADRB2ADRB1SLC22A1LMNACYP1A2
SCHEMBL7794842 0.72 KMT2A (0.43) ADRB2ADRB1LMNATSHRMAPK1
SCHEMBL7764770 0.72 HPGD (0.55) ADRB2ADRB1SLC22A1LMNACYP1A2
SCHEMBL8434327 0.71 CTSL (0.40) HPGDTSHRMAPK1HSD17B10LIG1

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