SCHEMBL9450992

SCHEMBL9450992

NCCC(C(=O)O)C(N)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 8/20 0.54
SLC1A3 P43003 7/20 0.54
SLC1A2 P43004 6/20 0.54
MEN1 O00255 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 1/20 0.54
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 1/20 0.42
LTA4H P09960 3/20 0.40
SRR Q9GZT4 1/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL10361434 0.85 SLC1A3 (0.44) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
SCHEMBL6659175 0.84 SLC1A3 (0.50) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
SCHEMBL3319284 0.84 SLC1A3 (0.50) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
SCHEMBL6659171 0.84 SLC1A3 (0.50) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
SCHEMBL3902604 0.82 SLC1A3 (0.49) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
SCHEMBL8054965 0.81 CETP (0.48) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
SCHEMBL27350619 0.80 SLC1A1 (0.53) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
SCHEMBL18925992 0.76 SLC1A1 (0.68) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
SCHEMBL9725774 0.76 SLC1A1 (0.68) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
SCHEMBL6651718 0.76 SLC1A1 (0.48) SLC1A1SLC1A3SLC1A2MEN1CYP1A2

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