SCHEMBL8087447

SCHEMBL8087447

COC(=O)c1ccc(-c2ccc(OS(=O)(=O)CC(F)(F)F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.54
RAB9A P51151 2/20 0.51
CA1 P00915 5/20 0.49
CA2 P00918 5/20 0.49
CA12 O43570 4/20 0.49
CA9 Q16790 4/20 0.49
CA14 Q9ULX7 4/20 0.49
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PLAU P00749 2/20 0.43
HPGD P15428 1/20 0.42
SETD7 Q8WTS6 1/20 0.40

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
SCHEMBL6132404 0.82 STS (0.59) STSRAB9ACA1CA2CA12
SCHEMBL576305 0.78 CA2 (0.44) STSCA1CA2CA9
SCHEMBL1928327 0.77 STS (0.65) STSRAB9ACA1CA2CA12
SCHEMBL4665441 0.76 STS (0.90) STSRAB9ACA1CA2CA12
SCHEMBL14930553 0.76 CA1 (0.58) STSRAB9ACA1CA2CA12
SCHEMBL10260278 0.75 ALDH1A1 (0.72) STSRAB9ACA1CA2CA12
SCHEMBL15685012 0.74 STS (0.69) STSRAB9ACA1CA2CA12
SCHEMBL14872862 0.74 CA2 (0.50) CA1CA2CA12CA9LMNA
SCHEMBL2188550 0.74 STS (0.59) STSRAB9ACA1CA2CA12
SCHEMBL15912453 0.73 PLAU (0.52) STSRAB9ACA1CA2CA12

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-1053247-A1 ANTIFUNGAL CYCLOHEXAPEPTIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-22 EP disclosed
WO-1999040108-A1 NEW COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-12 WO disclosed