SCHEMBL4964951

SCHEMBL4964951

Cc1c(C=O)nc2n1C(C)CCC2

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL23653038 0.69 ALDH1A1 (0.30) ALDH1A1
SCHEMBL31174789 0.68 MGLL (0.35)
SCHEMBL5048349 0.67 ALDH1A1 (0.44) ALDH1A1
SCHEMBL11366516 0.65 GAA (0.42) ALDH1A1
SCHEMBL25100331 0.65 POLB (0.41) ALDH1A1
SCHEMBL22484754 0.65 POLB (0.41) ALDH1A1
SCHEMBL11449432 0.64 ALDH1A1 (0.40) ALDH1A1
SCHEMBL11467166 0.64 GAA (0.40) ALDH1A1
SCHEMBL11109281 0.63 MAPK1 (0.32)
SCHEMBL21863412 0.62 MGLL (0.33)

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-1885357-A1 BICYCLIC 6-ALKYLIDENE-PENEMS AS CLASS-D BETA-LACTAMASES INHIBITORS Wyeth (US) 2008-02-13 EP disclosed
WO-2006130588-A1 BICYCLIC 6-ALKYLIDENE-PENEMS AS CLASS-D BETA-LACTAMASES INHIBITORS WYETH (US) 2006-12-07 WO disclosed