SCHEMBL3242002

SCHEMBL3242002

CC(Oc1ncccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 12/20 0.35
BCAT1 P54687 3/20 0.34
BCAT2 O15382 2/20 0.34
PPARG P37231 2/20 0.33
CYP3A4 P08684 2/20 0.33
UGCG Q16739 2/20 0.33
P2RX3 P56373 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
SCHEMBL3952530 0.92 DHODH (0.36) DHODHBCAT1BCAT2CYP3A4UGCG
SCHEMBL3952115 0.91 PPOX (0.41) DHODHBCAT1BCAT2CYP3A4UGCG
SCHEMBL3243364 0.91 BCAT1 (0.33) DHODHBCAT1BCAT2PPARG
SCHEMBL39853 0.90 DHODH (0.33) DHODHBCAT1BCAT2CYP3A4UGCG
SCHEMBL3245240 0.89 DHODH (0.32) DHODHBCAT1BCAT2CYP3A4UGCG
SCHEMBL26113058 0.89 DHODH (0.34) DHODHBCAT1BCAT2CYP3A4UGCG
SCHEMBL3240495 0.88 BCAT1 (0.38) DHODHBCAT1BCAT2PPARG
SCHEMBL6637329 0.88 DHODH (0.34) DHODHBCAT1BCAT2CYP3A4UGCG
SCHEMBL2594502 0.87 BCAT1 (0.41) DHODHBCAT1BCAT2CYP3A4UGCG
SCHEMBL27008034 0.87 BCAT1 (0.33) DHODHBCAT1BCAT2PPARGCYP3A4

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
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
EP-1397958-A1 STEAM/LEAF DESSICANT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-03-17 EP disclosed