SCHEMBL8912418

SCHEMBL8912418

O=C(O)CN(CCNC(=O)CNCCNCCNCC(=O)NCCNC(=O)O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32

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
SCHEMBL8912432 0.69 CA1 (0.33) CA1CA2
SCHEMBL19249068 0.68 EGLN1 (0.40) CA1CA2
SCHEMBL2240590 0.67 CA3 (0.42) CA1CA2
SCHEMBL17848970 0.67 CA12 (0.39) CA1
SCHEMBL22293743 0.66 TDP1 (0.56) CA1CA2
SCHEMBL16722614 0.65 REN (0.33)
SCHEMBL14847531 0.65 CASP2 (0.50)
SCHEMBL13336065 0.64 CA1 (0.45) CA1CA2
SCHEMBL9078425 0.64 ALDH1A1 (0.42)
SCHEMBL6844471 0.63 CA5B (0.50) CA1CA2

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-5679810-A AMIDE OR ESTER LINKAGES; COMPLEXES PARAMAGNETIC METAL IONS; DIAGNOSTIC IMAGING SALUTAR, INC. (US) 1997-10-21 US disclosed
US-5446145-A Diagnostic imaging, detoxification, radiotherapy NYCOMED SALUTAR, INC. (US) 1995-08-29 US disclosed