SCHEMBL7588488

SCHEMBL7588488

O=C(O)C(COCc1ccccc1)NCCNC(COCc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.59
PPARA Q07869 2/20 0.58
PPARG P37231 1/20 0.52
MME P08473 1/20 0.52
SLC1A1 P43005 1/20 0.51
CTSS P25774 1/20 0.48
CA1 P00915 4/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
MMP9 P14780 1/20 0.47
MMP14 P50281 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 1/20 0.45
GGT1 P19440 1/20 0.44
LMNA P02545 1/20 0.44
ACE P12821 1/20 0.44

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
SCHEMBL9450975 0.91 FOLH1 (0.54) FOLH1PPARAPPARGMMESLC1A1
SCHEMBL5347315 0.91 FOLH1 (0.54) FOLH1PPARAPPARGMMESLC1A1
SCHEMBL2026078 0.89 FOLH1 (0.50) FOLH1PPARAPPARGMMESLC1A1
SCHEMBL2026077 0.89 FOLH1 (0.50) FOLH1PPARAPPARGMMESLC1A1
SCHEMBL6446640 0.88 FOLH1 (0.49) FOLH1PPARAPPARGMMESLC1A1
SCHEMBL6446635 0.88 FOLH1 (0.49) FOLH1PPARAPPARGMMESLC1A1
Hydrochloric Acid SCHEMBL20996763 0.87 FOLH1 (0.57) FOLH1PPARAPPARGMMESLC1A1
SCHEMBL6311567 0.87 PPARA (0.53) FOLH1PPARAPPARGMMESLC1A1
SCHEMBL9450999 0.86 FOLH1 (0.50) FOLH1PPARAPPARGMMESLC1A1
SCHEMBL9451004 0.84 GGT1 (0.49) FOLH1PPARAPPARGMMECA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1061957-B1 MANGANESE (II) CHELATES WITH HIGH RELAXIVITY IN SERUM BRACCO SPA (IT) 2002-10-30 EP disclosed
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