SCHEMBL9450993

SCHEMBL9450993

COCC(C)(C)C(NCCN)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.36
GABRR1 P24046 2/20 0.33
CPB2 Q96IY4 5/20 0.33
CPB1 P15086 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
SCHEMBL2434944 0.79 GGT1 (0.38) GGT1GABRR1CPB2CPB1
SCHEMBL3749598 0.78 GGT1 (0.42) GGT1GABRR1CPB2CPB1
SCHEMBL9451013 0.78 CTSS (0.35)
SCHEMBL28686249 0.71 GGT1 (0.42) GGT1GABRR1CPB2CPB1
SCHEMBL3448774 0.70 PTGS1 (0.48)
SCHEMBL3451633 0.70 CA1 (0.42)
SCHEMBL9450983 0.68 GGT1 (0.51) GGT1GABRR1CPB2CPB1
SCHEMBL9450997 0.66 CPT2 (0.34)
SCHEMBL2434941 0.66 GGT1 (0.34) GGT1
SCHEMBL9451010 0.65 ALDH1A1 (0.32)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5182370-A Diagnostic NMR imaging BRACCO INDUSTRIA CHIMICA S.P.A. (IT) 1993-01-26 US disclosed
US-4980502-A For nuclear magnetic resonance imaging BRACCO INDUSTRIA CHIMICA, S.P.A. (IT) 1990-12-25 US disclosed
EP-0230893-B1 PARAMAGNETIC CHELATES BRACCO INDUSTRIA CHIMICA Società per Azioni (IT) 1990-06-13 EP disclosed
US-4916246-A Paramagnetic chelates useful for NMR imaging BRACCO CHIMICA S.P.A. (IT) 1990-04-10 US disclosed
EP-0230893-A2 Paramagnetic chelates BRACCO INDUSTRIA CHIMICA Società per Azioni (IT) 1987-08-05 EP disclosed