SCHEMBL7795323

SCHEMBL7795323

C=CCC(=O)Oc1cnc(C(O)C(F)(F)F)nc1-c1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TBXA2R P21731 1/20 0.30
PTGDR Q13258 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
GABRA5 P31644 1/20 0.30
MAPT P10636 2/20 0.30
LMNA P02545 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
SCHEMBL7793925 0.72 PRKCA (0.32) HDAC1HDAC6TBXA2R
SCHEMBL8631993 0.69 MAPT (0.34) CYP1A2MAPTLMNAATM
SCHEMBL7795334 0.67 KMO (0.36) MEN1KMT2A
SCHEMBL7795329 0.66 NTRK1 (0.35)
SCHEMBL7795321 0.63 HTT (0.33)
SCHEMBL1902239 0.63 PTGDR2 (0.40) TDP1ALDH1A1KDM4ECYP3A4GAA
SCHEMBL7867258 0.62 ADRB2 (0.35) ALDH1A1CYP1A2MAPTLMNAMAPK1
SCHEMBL163578 0.62 ALDH1A1 (0.50) TDP1ALDH1A1KDM4ECYP3A4GAA
SCHEMBL1034563 0.62 ALDH1A1 (0.53) TDP1ALDH1A1KDM4ECYP1A2GAA
SCHEMBL3502139 0.62 KDM4E (0.57) PTGS2TDP1ALDH1A1KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0435632-B1 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 CO (JP) 2001-11-28 EP disclosed
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