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Sugi Predict / Compounds / SCHEMBL8948558

SCHEMBL8948558

SCHEMBL8948558

O=C1COc2c(-n3c(=O)cc(C(F)(F)F)[nH]c3=O)ccc(Cl)c21

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BCAT1 P54687 18/20 0.49
▸ BCAT2 O15382 16/20 0.49
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8948499 0.76 — —
SCHEMBL8948790 0.76 BCAT1 (0.48) BCAT1BCAT2
SCHEMBL11786788 0.75 BCAT1 (0.57) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL31442426 0.74 BCAT1 (0.56) BCAT1BCAT2
SCHEMBL24825626 0.73 BCAT1 (0.57) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL7245230 0.73 BCAT1 (0.55) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL7943856 0.73 BCAT1 (0.47) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL8691597 0.71 BCAT1 (0.54) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL29574224 0.71 BCAT1 (0.54) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL9379682 0.70 BCAT1 (0.54) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19

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