SCHEMBL7863558

SCHEMBL7863558

C=CCC(=O)Oc1cnc(-c2ccccc2C(C)O)nc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP1 O94782 6/20 0.34
WDR48 Q8TAF3 3/20 0.34
HTT P42858 1/20 0.33
ALDH1A1 P00352 3/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
LMNA P02545 3/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PRKCA P17252 1/20 0.30
ADRB2 P07550 2/20 0.30
ADRB1 P08588 2/20 0.30
ADRB3 P13945 1/20 0.30
SLC22A1 O15245 1/20 0.30
CYP1A2 P05177 1/20 0.30
HTR1A P08908 1/20 0.30
CYP2D6 P10635 1/20 0.30
HTR2A P28223 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL7856830 0.81 MAPT (0.41) USP1WDR48ALDH1A1MAPTLMNA
SCHEMBL7863555 0.80 HTT (0.35) HTTALDH1A1GAAMAPTLMNA
SCHEMBL7867258 0.80 ADRB2 (0.35) HTTALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL7862170 0.77 MEN1 (0.45) USP1WDR48ALDH1A1GAAMAPT
SCHEMBL7865075 0.76 USP1 (0.40) USP1WDR48HTTALDH1A1GAA
SCHEMBL7793925 0.71 PRKCA (0.32) HTTPRKCA
SCHEMBL8943415 0.70 NPC1 (0.45) HTTMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL9005809 0.69 HTT (0.52) HTTALDH1A1SMN1; SMN2
SCHEMBL7856801 0.69 HCRTR1 (0.34) ALDH1A1KMT2AMEN1PRKCAADRB2
SCHEMBL163578 0.68 ALDH1A1 (0.50) HTTALDH1A1GAAMAPTKMT2A

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