SCHEMBL8017357

SCHEMBL8017357

CCC(C)C(N[C]=O)C(=O)N[N+]1([O-])CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL7556071 0.74 ALDH1A1 (0.49) ALDH1A1
SCHEMBL8006750 0.71 EPHX1 (0.48) ALDH1A1
SCHEMBL8024023 0.68 ALDH1A1 (0.53) ALDH1A1
SCHEMBL7406206 0.68 DPP4 (0.44) ALDH1A1
SCHEMBL5052005 0.67 ENPEP (0.39) ALDH1A1
SCHEMBL8016718 0.67 ENPEP (0.39) ALDH1A1
SCHEMBL8017536 0.65 POLB (0.41) ALDH1A1
SCHEMBL7405326 0.64 ALDH1A1 (0.37) ALDH1A1
SCHEMBL8019727 0.63 ALDH1A1 (0.36) ALDH1A1
SCHEMBL5050524 0.62 ALDH1A1 (0.34) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0706532-B1 Peptides having endothelin antagonictic activity,their preparation and pharmaceutical compositions FUJISAWA PHARMACEUTICAL CO (JP) 2000-02-02 EP disclosed
EP-0706532-A1 NEW COMPOUND AND ITS PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-17 EP disclosed
WO-1995000537-A1 NEW COMPOUND AND ITS PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-01-05 WO disclosed