SCHEMBL7863588

SCHEMBL7863588

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

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
RARB P10826 4/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
PLA2G4B P0C869 5/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 2/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPT P10636 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
ALDH1A1 P00352 1/20 0.49
PTPN11 Q06124 1/20 0.48
PLA2G4A P47712 1/20 0.48

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
SCHEMBL7863577 1.00 GAA (0.59) GAARARBL3MBTL1TP53TSHR
SCHEMBL9733624 0.89 RARB (0.74) RARBTP53TSHRPLA2G4BNPC1
SCHEMBL9745002 0.89 RARB (0.74) RARBTP53TSHRPLA2G4BNPC1
SCHEMBL9745065 0.89 RARB (0.74) RARBTP53TSHRPLA2G4BNPC1
SCHEMBL8532765 0.89 RARB (0.74) RARBTP53TSHRPLA2G4BNPC1
SCHEMBL8943378 0.89 RARB (0.74) RARBTP53TSHRPLA2G4BNPC1
Hydrochloric Acid SCHEMBL9745040 0.87 RARB (0.72) RARBTP53TSHRPLA2G4BNPC1
Hydrochloric Acid SCHEMBL9744738 0.87 RARB (0.72) RARBTP53TSHRPLA2G4BNPC1
SCHEMBL9745673 0.87 RARB (0.56) RARBTP53TSHRPLA2G4BNPC1
SCHEMBL9746155 0.87 RARB (0.56) RARBTP53TSHRPLA2G4BNPC1

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