SCHEMBL9153082

SCHEMBL9153082

O=C(O)CNCCNCCNC(CC(=O)NC(CO)CO)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.34
FOLH1 Q04609 1/20 0.31
RIMKLA Q8IXN7 1/20 0.31
NAALAD2 Q9Y3Q0 1/20 0.31
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
TGFBR1 P36897 1/20 0.30

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
SCHEMBL8935945 0.81 CA2 (0.37) MMEFOLH1RIMKLANAALAD2CA2
SCHEMBL23248621 0.81 CA2 (0.37) MMEFOLH1RIMKLANAALAD2CA2
SCHEMBL6947256 0.80 USP2 (0.34) FOLH1RIMKLANAALAD2CA2
SCHEMBL10784145 0.79 BCHE (0.31)
SCHEMBL5015012 0.79 CA2 (0.38) MMEFOLH1RIMKLANAALAD2CA2
SCHEMBL9160939 0.78 USP2 (0.34) FOLH1RIMKLANAALAD2CA2CA4
SCHEMBL9505796 0.76 ECE1 (0.36) FOLH1RIMKLANAALAD2CA2
SCHEMBL9266659 0.74 CA1 (0.35) CA2
SCHEMBL8534220 0.73 CA1 (0.31) CA2
SCHEMBL3937150 0.73 CA2 (0.41) MMEFOLH1RIMKLANAALAD2CA2

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
US-5419894-A Complexing agents, complexes and complex salts SCHERING AKTIENGESELLSCHAFT (DE) 1995-05-30 US disclosed
US-5316756-A Administering contrast medium of carboxyamine containing compounds SCHERING AKTIENGESELLSCHAFT (DE) 1994-05-31 US disclosed