SCHEMBL7783728

SCHEMBL7783728

C1=CC(C2CCCCCCCCCCC2)CCC1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL14759776 1.00 ALDH1A1 (0.38) ALDH1A1KDM4E
SCHEMBL1133414 1.00 ALDH1A1 (0.38) ALDH1A1KDM4E
SCHEMBL7279427 0.97 ALDH1A1 (0.39) ALDH1A1KDM4E
SCHEMBL11789975 0.92 KDM4E (0.39) ALDH1A1KDM4E
SCHEMBL1524602 0.90
SCHEMBL7421159 0.87 ALDH1A1 (0.35) ALDH1A1KDM4E
SCHEMBL3278054 0.87 ALDH1A1 (0.35) ALDH1A1KDM4E
SCHEMBL1200265 0.87 ALDH1A1 (0.35) ALDH1A1
SCHEMBL726263 0.87 ALDH1A1 (0.35) ALDH1A1KDM4E
SCHEMBL1200366 0.84 ALDH1A1 (0.37) ALDH1A1

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-1140810-A1 BENZENIC SULPHONAMIDE DERIVATIVES AND THEIR USES Université de Liège (BE) 2001-10-10 EP disclosed
WO-2000042004-A1 BENZENIC SULPHONAMIDE DERIVATIVES AND THEIR USES UNIVERSITE DE LIEGE (BE) 2000-07-20 WO disclosed