SCHEMBL7785299

SCHEMBL7785299

C=CCOC(=O)c1nccc(-c2cccc(C(O)C(F)(F)F)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMO O15229 12/20 0.43
KDM5B Q9UGL1 1/20 0.35
CYP3A4 P08684 1/20 0.34
FGFR1 P11362 1/20 0.33
MET P08581 1/20 0.33
APP P05067 1/20 0.32
CTSA P10619 1/20 0.32
F9 P00740 1/20 0.32

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
SCHEMBL7785290 0.82 KDM5B (0.36) KMOKDM5BAPP
SCHEMBL7795334 0.78 KMO (0.36) KMOKDM5BAPPCTSAF9
SCHEMBL7791012 0.78 KDM5B (0.37) KMOKDM5BAPP
SCHEMBL8631222 0.73 CYP3A4 (0.40) CYP3A4
SCHEMBL7785295 0.72 CYP3A4 (0.44) CYP3A4FGFR1
SCHEMBL13188993 0.68 SYK (0.52)
SCHEMBL24653903 0.68 ALDH1A1 (0.44)
SCHEMBL1168767 0.68 CYP3A4 (0.58) CYP3A4FGFR1
SCHEMBL7865028 0.68 CDK8 (0.41) KMO
SCHEMBL8632716 0.66 ALDH1A1 (0.46) CYP3A4

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-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-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