SCHEMBL7867258

SCHEMBL7867258

C=CCC(=O)Oc1ccccc1-c1ncc(C(C)O)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.35
ADRB1 P08588 5/20 0.35
ADRB3 P13945 2/20 0.35
PRKCA P17252 1/20 0.35
LMNA P02545 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
HTR1A P08908 2/20 0.33
CYP2D6 P10635 2/20 0.33
SLC6A4 P31645 2/20 0.33
ADRA1A P35348 2/20 0.33
SLC22A1 O15245 1/20 0.33
HTR2A P28223 1/20 0.33
HTT P42858 3/20 0.32
MAPT P10636 2/20 0.32
USP2 O75604 1/20 0.32
MAPK1 P28482 1/20 0.32
TSHR P16473 2/20 0.32
ADRA2C P18825 1/20 0.32
SLC6A2 P23975 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
SCHEMBL7793925 0.86 PRKCA (0.32) PRKCAHTT
SCHEMBL7863562 0.82 ADRB2 (0.46) ADRB2ADRB1ADRB3LMNAALDH1A1
SCHEMBL7856801 0.80 HCRTR1 (0.34) ADRB2ADRB1ADRB3PRKCAALDH1A1
SCHEMBL7863558 0.80 USP1 (0.34) ADRB2ADRB1ADRB3PRKCALMNA
SCHEMBL7856837 0.75 CYP3A4 (0.54) ADRB2ADRB1ADRB3LMNAALDH1A1
SCHEMBL7865025 0.74 GABRA1 (0.41) ADRB2ADRB1ADRB3LMNAALDH1A1
SCHEMBL8942949 0.70 RXRA (0.51) ADRB2ADRB1LMNAALDH1A1HTT
SCHEMBL7795329 0.70 NTRK1 (0.35)
SCHEMBL1902239 0.70 PTGDR2 (0.40) PRKCAALDH1A1HTTMAPTMAPK1
SCHEMBL7863555 0.69 HTT (0.35) ADRB2ADRB1ADRB3LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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