SCHEMBL9450987

SCHEMBL9450987

NCCNC(COCCc1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 2/20 0.45
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
FOLH1 Q04609 1/20 0.40
PPARA Q07869 1/20 0.40
TLR2 O60603 5/20 0.39
MME P08473 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL9451004 0.91 GGT1 (0.49) GGT1FOLH1PPARAMME
SCHEMBL5347315 0.86 FOLH1 (0.54) GGT1FOLH1PPARAMME
SCHEMBL9450975 0.86 FOLH1 (0.54) GGT1FOLH1PPARAMME
SCHEMBL9450999 0.78 FOLH1 (0.50) ITGB3ITGA2BFOLH1PPARATLR2
SCHEMBL2026078 0.78 FOLH1 (0.50) GGT1ITGB3ITGA2BFOLH1PPARA
SCHEMBL2026077 0.78 FOLH1 (0.50) GGT1ITGB3ITGA2BFOLH1PPARA
SCHEMBL6446640 0.77 FOLH1 (0.49) GGT1ITGB3ITGA2BFOLH1PPARA
SCHEMBL6446635 0.77 FOLH1 (0.49) GGT1ITGB3ITGA2BFOLH1PPARA
SCHEMBL5158344 0.77 MME (0.51) FOLH1MME
SCHEMBL7588488 0.76 FOLH1 (0.59) GGT1FOLH1PPARAMMELMNA

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