SCHEMBL3248258

SCHEMBL3248258

CC(=O)Oc1ccccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 14/20 0.40
BCAT2 O15382 12/20 0.40
DHODH Q02127 5/20 0.33
BACE1 P56817 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
SCHEMBL10576855 0.91 BCAT1 (0.34) BCAT1BCAT2DHODH
SCHEMBL3248252 0.91 BCAT1 (0.39) BCAT1BCAT2DHODH
SCHEMBL29005621 0.89 BCAT1 (0.39) BCAT1BCAT2DHODHBACE1
SCHEMBL7594905 0.89 BCAT1 (0.39) BCAT1BCAT2DHODHBACE1
SCHEMBL6641668 0.88 BCAT1 (0.34) BCAT1BCAT2DHODH
SCHEMBL27044947 0.88 BCAT1 (0.39) BCAT1BCAT2DHODH
SCHEMBL7639795 0.88 BCAT1 (0.35) BCAT1BCAT2DHODH
SCHEMBL1527284 0.87 BCAT1 (0.42) BCAT1BCAT2DHODH
SCHEMBL27044951 0.87 BCAT1 (0.38) BCAT1BCAT2DHODH
SCHEMBL10574783 0.87 BCAT1 (0.36) BCAT1BCAT2DHODHBACE1

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
CN-115996638-A Substituted N-phenyluracils and salts thereof and their use as herbicidal agents 拜耳股份有限公司 2023-04-21 CN disclosed
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