SCHEMBL14701758

SCHEMBL14701758

C=C(O)CNCCNCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 12/20 0.38
CA2 P00918 12/20 0.38
LDHA P00338 1/20 0.33
SRR Q9GZT4 1/20 0.33
LMNA P02545 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
SUCNR1 Q9BXA5 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
TSHR P16473 1/20 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
SCHEMBL5969834 0.89
SCHEMBL10988936 0.86 LMNA (0.44) CA1CA2LDHASRRLMNA
SCHEMBL163217 0.86 LMNA (0.44) CA1CA2LDHASRRLMNA
SCHEMBL11441884 0.86
SCHEMBL18160753 0.83 LMNA (0.41) CA1CA2LDHASRRLMNA
SCHEMBL6343644 0.83 LMNA (0.41) CA1CA2LDHASRRLMNA
SCHEMBL1684976 0.83 LMNA (0.41) CA1CA2LDHASRRLMNA
SCHEMBL1644077 0.83 LMNA (0.41) CA1CA2LDHASRRLMNA
SCHEMBL1134677 0.83 LMNA (0.41) CA1CA2LDHASRRLMNA
Water SCHEMBL4057424 0.83 LMNA (0.41) CA1CA2LDHASRRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013022797-A1 RADIOLABELED PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS MOLECULAR INSIGHT PHARMACEUTICALS (US) 2013-02-14 WO disclosed