SCHEMBL8722107

SCHEMBL8722107

Cc1cc(Oc2ccc(C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)O)cc2)ccc1N(CCCl)CCCl

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PYGL P06737 3/20 0.36
CA2 P00918 3/20 0.36
CA1 P00915 3/20 0.36
TMPRSS15 P98073 7/20 0.35
PRSS1 P07477 6/20 0.35
UTS2R Q9UKP6 1/20 0.35
THRA P10827 2/20 0.35
THRB P10828 2/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP12 P39900 1/20 0.34

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
SCHEMBL8722086 0.91 CA2 (0.42) PYGLCA2CA1TMPRSS15PRSS1
SCHEMBL7715738 0.88 CA1 (0.44) CA2CA1UTS2RCA12CA9
SCHEMBL8726548 0.82 ALDH1A1 (0.43) PYGLCA2CA1UTS2RCA12
SCHEMBL8722082 0.82 CA1 (0.42) PYGLCA2CA1CA12CA9
SCHEMBL8722067 0.81 CA1 (0.47) CA2CA1CA12CA9ALDH1A1
SCHEMBL8726191 0.81 CA2 (0.41) CA2CA1CA12CA9MMP2
SCHEMBL8726467 0.80 CA2 (0.41) PYGLCA2CA1CA12CA9
SCHEMBL7717390 0.80 MAPT (0.36) CA1UTS2RCA12CA9ALDH1A1
SCHEMBL8722150 0.79 CA2 (0.42) PYGLCA2UTS2RALDH1A1LMNA
SCHEMBL8726202 0.78 CA2 (0.46) CA2CA1UTS2RCA12CA9

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