SCHEMBL8726202

SCHEMBL8726202

C[C@H](NC(=O)c1ccc(Oc2ccc(N(CCCl)CCCl)cc2)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.46
CA1 P00915 3/20 0.46
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
LMNA P02545 1/20 0.43
TYMS P04818 1/20 0.41
FOLH1 Q04609 4/20 0.40
KMT2A Q03164 1/20 0.40
DHFR P00374 4/20 0.40
UTS2R Q9UKP6 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
SCHEMBL8722961 0.90 CA2 (0.46) CA2CA1CA12CA9LMNA
SCHEMBL8722941 0.90 CA2 (0.41) CA2CA1CA12CA9EGFR
SCHEMBL8722086 0.87 CA2 (0.42) CA2CA1CA12CA9TYMS
SCHEMBL8726191 0.86 CA2 (0.41) CA2CA1CA12CA9TYMS
SCHEMBL8722982 0.85 MMP2 (0.50) CA2CA1CA12CA9FOLH1
SCHEMBL7715732 0.84 EGFR (0.53) CA2CA1CA12CA9EGFR
SCHEMBL9014687 0.84 CA2 (0.56) CA2CA1CA12CA9EGFR
SCHEMBL1064767 0.84 CA2 (0.56) CA2CA1CA12CA9EGFR
SCHEMBL8722158 0.83 CA2 (0.41) CA2CA1CA12CA9LMNA
SCHEMBL8726491 0.82 CA2 (0.47) CA2CA1CA12CA9LMNA

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-1998035982-A1 COMPOUNDS FOR USE IN ADEPT ZENECA LIMITED (GB) 1998-08-20 WO disclosed