SCHEMBL7863555

SCHEMBL7863555

C=CCC(=O)Oc1ccc(C(C)O)c(-c2ncccn2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
ALDH1A1 P00352 3/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
KMT2A Q03164 3/20 0.31
KDM4E B2RXH2 2/20 0.31
RAB9A P51151 2/20 0.31
MAPT P10636 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
GAA P10253 1/20 0.31
LMNA P02545 1/20 0.30
ELANE P08246 1/20 0.30
NPC1 O15118 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL7795321 0.85 HTT (0.33) HTTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7856827 0.82 LMNA (0.45) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7863558 0.80 USP1 (0.34) HTTALDH1A1KMT2AMAPTADRB2
SCHEMBL7856801 0.78 HCRTR1 (0.34) ALDH1A1KMT2AKDM4EADRB2ADRB1
SCHEMBL7862166 0.75 SNCA (0.44) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7865071 0.74 GABRA1 (0.44) HTTALDH1A1KMT2AKDM4ERAB9A
SCHEMBL7867258 0.69 ADRB2 (0.35) HTTALDH1A1MAPTADRB2ADRB1
SCHEMBL7795329 0.68 NTRK1 (0.35) HCRTR2
SCHEMBL7494937 0.66 LMNA (0.49) MAPTGAALMNA
SCHEMBL28115800 0.65 LMNA (0.52) HTTALDH1A1KMT2AMAPTGAA

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