SCHEMBL3243364

SCHEMBL3243364

CC(Oc1ncccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1N)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 2/20 0.33
DHODH Q02127 14/20 0.32
P2RY1 P47900 1/20 0.31
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
BCAT2 O15382 1/20 0.31
PPARG P37231 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL3250960 0.92 DHODH (0.34) BCAT1DHODHP2RY1CARM1PRMT6
SCHEMBL13397734 0.92 DHODH (0.32) BCAT1DHODHP2RY1
SCHEMBL3955892 0.91 DHODH (0.33) BCAT1DHODHCARM1PRMT6
SCHEMBL3242002 0.91 DHODH (0.35) BCAT1DHODHBCAT2PPARG
SCHEMBL2589464 0.87 BCAT1 (0.37) BCAT1DHODHP2RY1BCAT2PPARG
SCHEMBL3248273 0.87 PKM (0.34) BCAT1P2RY1CARM1PRMT6BCAT2
SCHEMBL3243419 0.84 BCAT1 (0.33) BCAT1DHODHP2RY1CARM1PRMT6
SCHEMBL6635615 0.83 BCAT1 (0.34) BCAT1P2RY1BCAT2
SCHEMBL3952530 0.83 DHODH (0.36) BCAT1DHODHBCAT2
SCHEMBL3952115 0.82 PPOX (0.41) BCAT1DHODHBCAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1736052-B1 Stem/leaf desiccant SUMITOMO CHEMICAL CO (JP) 2010-04-21 EP disclosed
EP-1736052-A2 Stem/leaf desiccant Sumitomo Chemical Company, Limited (JP) 2006-12-27 EP disclosed