SCHEMBL8948790

SCHEMBL8948790

CC1(C)Cc2c(Cl)ccc(-n3c(=O)cc(C(F)(F)F)[nH]c3=O)c2O1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 20/20 0.48
BCAT2 O15382 18/20 0.48

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
SCHEMBL8948489 0.79 PTGES (0.34)
SCHEMBL8948746 0.78 PTGES (0.31)
SCHEMBL8948558 0.76 BCAT1 (0.49) BCAT1BCAT2
SCHEMBL11786788 0.71 BCAT1 (0.57) BCAT1BCAT2
SCHEMBL31442426 0.70 BCAT1 (0.56) BCAT1BCAT2
SCHEMBL24825626 0.69 BCAT1 (0.57) BCAT1BCAT2
SCHEMBL7245230 0.69 BCAT1 (0.55) BCAT1BCAT2
SCHEMBL7943856 0.69 BCAT1 (0.47) BCAT1BCAT2
SCHEMBL8783704 0.68 BCAT1 (0.46) BCAT1BCAT2
SCHEMBL8691597 0.68 BCAT1 (0.54) BCAT1BCAT2

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
US-5521147-A HERBICIDES FMC CORPORATION (US) 1996-05-28 US disclosed
WO-1995005079-A1 3-(BENZOFURAN-7-YL)-6-HALOALKYLURACILS FMC CORPORATION (US) 1995-02-23 WO disclosed