SCHEMBL6446635

SCHEMBL6446635

NCCNCCNC(COCc1ccccc1)C(=O)O.[NaH]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.49
PPARA Q07869 2/20 0.48
SLC1A1 P43005 3/20 0.45
PPARG P37231 1/20 0.44
MME P08473 1/20 0.44
CTSS P25774 1/20 0.41
MMP9 P14780 1/20 0.40
MMP14 P50281 1/20 0.40
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
GGT1 P19440 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
ITGB3 P05106 4/20 0.39
ITGA2B P08514 4/20 0.39
HTT P42858 1/20 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
SCHEMBL2026077 0.99 FOLH1 (0.50) FOLH1PPARASLC1A1PPARGMME
SCHEMBL2026078 0.99 FOLH1 (0.50) FOLH1PPARASLC1A1PPARGMME
SCHEMBL6446640 0.97 FOLH1 (0.49) FOLH1PPARASLC1A1PPARGMME
SCHEMBL9450975 0.91 FOLH1 (0.54) FOLH1PPARASLC1A1PPARGMME
SCHEMBL5347315 0.91 FOLH1 (0.54) FOLH1PPARASLC1A1PPARGMME
SCHEMBL7588488 0.88 FOLH1 (0.59) FOLH1PPARASLC1A1PPARGMME
SCHEMBL6446637 0.88 FOLH1 (0.42) FOLH1PPARASLC1A1PPARGMME
SCHEMBL9115844 0.83 MMP9 (0.43) FOLH1PPARASLC1A1PPARGMME
SCHEMBL9450999 0.83 FOLH1 (0.50) FOLH1PPARASLC1A1PPARGMME
SCHEMBL27740201 0.80 SLC1A1 (0.48) FOLH1PPARASLC1A1SLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095009-B1 A PROCESS FOR THE PREPARATION OF 4-CARBOXY- 5,8,11- TRIS(CARBOXYMETHYL)- 1-PHENYL- 2-OXA- 5,8,11- TRIAZATRIDECAN- 13-OIC ACID BRACCO IMAGING SPA (IT) 2005-06-15 EP disclosed
US-6162947-A Process for the preparation of 4-carboxy-5, 8,11-tris (carboxymethyl)-phenyl-2-oxa-5, 8 11-triazatridecan DIBRA S.P.A. (IT) 2000-12-19 US disclosed