SCHEMBL7717406

SCHEMBL7717406

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.33
LPAR5 Q9H1C0 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
PRSS1 P07477 2/20 0.33
TMPRSS15 P98073 2/20 0.33
PYGL P06737 1/20 0.32
TYMS P04818 4/20 0.32
CCKBR P32239 2/20 0.31
ALDH1A1 P00352 1/20 0.31
FOLH1 Q04609 1/20 0.31
MCL1 Q07820 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL7717407 0.87 EGFR (0.42) CA12CA1CA2CA9PRSS1
SCHEMBL8722086 0.81 CA2 (0.42) CA12CA1CA2CA9PRSS1
SCHEMBL8722082 0.79 CA1 (0.42) CA12CA1CA2CA9PYGL
SCHEMBL8722067 0.78 CA1 (0.47) CA12CA1CA2CA9CCKBR
SCHEMBL8726467 0.77 CA2 (0.41) CA12CA1CA2CA9PYGL
SCHEMBL7903773 0.76 PYGL (0.38) CA12CA1CA2CA9TMPRSS15
SCHEMBL7902106 0.76 PYGL (0.38) CA12CA1CA2CA9TMPRSS15
SCHEMBL8726548 0.75 ALDH1A1 (0.43) CA12CA1CA2CA9PYGL
SCHEMBL7715738 0.75 CA1 (0.44) CA12CA1CA2CA9ALDH1A1
SCHEMBL7711928 0.75 MCL1 (0.43) LPAR1LPAR5CA1CA2MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6436691-B1 CONJUGATE WHICH IS SUBSTANTIALLY NON-IMMUNOGENIC IN HUMANS COMPRISING TARGETING MOIETY CAPABLE OF BINDING WITH TUMOR ASSOCIATED ANTIGEN LINKED TO MUTATED FORM OF CARBOXYPEPTIDASE B ENZYME CAPABLE OF CONVERTING PRODRUG INTO ANTICANCER DRUG ZENECA LIMITED (GB) 2002-08-20 US disclosed
WO-1998035982-A1 COMPOUNDS FOR USE IN ADEPT ZENECA LIMITED (GB) 1998-08-20 WO disclosed
EP-0844885-A2 CHEMICAL COMPOUNDS ZENECA LIMITED (GB) 1998-06-03 EP disclosed
WO-1997007769-A2 CHEMICAL COMPOUNDS ZENECA LIMITED (GB) 1997-03-06 WO disclosed