SCHEMBL8722158

SCHEMBL8722158

C[C@H](NC(=O)c1ccc(Oc2ccc(N(CCCl)CCCl)c3ccccc23)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.41
CA1 P00915 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KEAP1 Q14145 1/20 0.36
PRSS1 P07477 2/20 0.36
TMPRSS15 P98073 2/20 0.36
FOLH1 Q04609 1/20 0.36
UTS2R Q9UKP6 1/20 0.36
BCL2L1 Q07817 1/20 0.36
ADAMTS4 O75173 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP12 P39900 2/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL8724221 0.87 CA1 (0.42) CA2CA1CA12CA9UTS2R
SCHEMBL8722941 0.84 CA2 (0.41) CA2CA1CA12CA9LMNA
SCHEMBL8726191 0.84 CA2 (0.41) CA2CA1CA12CA9FOLH1
SCHEMBL8722086 0.84 CA2 (0.42) CA2CA1CA12CA9PRSS1
SCHEMBL8726202 0.83 CA2 (0.46) CA2CA1CA12CA9LMNA
SCHEMBL8722982 0.80 MMP2 (0.50) CA2CA1CA12CA9PRSS1
SCHEMBL8726177 0.79 ALDH1A1 (0.37) TDP1UTS2R
SCHEMBL8722628 0.77 MMP2 (0.37) CA2CA1CA12CA9MMP2
SCHEMBL8722107 0.77 PYGL (0.36) CA2CA1CA12CA9LMNA
SCHEMBL8722082 0.75 CA1 (0.42) CA2CA1CA12CA9FOLH1

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