SCHEMBL7864496

SCHEMBL7864496

CCCCCCCCOc1cnc(-c2ccc(CCC(C)OC(C)=O)cc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.46
RAB9A P51151 5/20 0.45
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 4/20 0.41
ACACB O00763 2/20 0.41
PLA2G4A P47712 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
PLA2G4B P0C869 1/20 0.39

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
SCHEMBL9096988 0.95 RARB (0.47) RARBRAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9096672 0.94 RARB (0.49) RARBRAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9095535 0.94 RARB (0.49) RARBRAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9239277 0.89 RARB (0.47) RARBRAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9240395 0.89 RARB (0.47) RARBRAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9240223 0.89 RARB (0.47) RARBRAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9239031 0.89 RARB (0.47) RARBRAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8620388 0.89 ACACB (0.44) RARBRAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9237326 0.88 RARB (0.45) RARBRAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9097155 0.85 RARB (0.46) RARBRAB9AKDM4ESMN1; SMN2HSD17B10

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 3 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