SCHEMBL8107969

SCHEMBL8107969

C=C1COC(=O)N1.C=CCOC(=O)N1C[C@@H](SC(C)=O)C[C@@H]1CCO

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.32

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
SCHEMBL8098459 0.85 CYP19A1 (0.30)
SCHEMBL7805577 0.78 ECE1 (0.33) ECE1
SCHEMBL9795176 0.74 ECE1 (0.38) ECE1
SCHEMBL9794941 0.74 ECE1 (0.41) ECE1
SCHEMBL8832600 0.72 ECE1 (0.32) ECE1
SCHEMBL7811563 0.72 NPSR1 (0.46) ECE1
SCHEMBL9215991 0.71 ECE1 (0.34) ECE1
SCHEMBL8833259 0.71 ECE1 (0.34) ECE1
SCHEMBL8805757 0.71 SIGMAR1 (0.33)
SCHEMBL8805750 0.71 SIGMAR1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0545290-B1 Aminoalkylpyrrolidinylthiocarbapenem derivatives BANYU PHARMA CO LTD (JP) 2000-08-23 EP disclosed
US-5550121-A ANTIBIOTICS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-08-27 US disclosed
WO-1993011128-A1 AMINOALKYLPYRROLIDINYLTHIOCARBAPENEM DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-10 WO disclosed
EP-0545290-A1 Aminoalkylpyrrolidinylthiocarbapenem derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-09 EP disclosed