SCHEMBL7711926

SCHEMBL7711926

Cc1cc(Oc2ccc(C(=O)OC(C)(C)C)cc2)ccc1N(CCCl)CCCl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
PTGS1 P23219 1/20 0.33
STAT3 P40763 1/20 0.33
ELANE P08246 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
EGFR P00533 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
SCHEMBL7717869 0.89 ALDH1A1 (0.47) ESRRAALDH1A1CA12CA1CA2
SCHEMBL7711928 0.84 MCL1 (0.43) CA1CA2
SCHEMBL7717390 0.82 MAPT (0.36) ALDH1A1CA12CA1CA9LMNA
SCHEMBL8722093 0.80 MAPT (0.47) ALDH1A1HPGDLMNAKMT2AL3MBTL1
SCHEMBL8722150 0.78 CA2 (0.42) ALDH1A1CA2HPGDLMNASMN1; SMN2
SCHEMBL7715738 0.76 CA1 (0.44) ALDH1A1CA12CA1CA2CA9
SCHEMBL7711932 0.75 CA12 (0.43) ESRRAALDH1A1CA12CA1CA2
SCHEMBL5918245 0.75 HPGD (0.54) ESRRAALDH1A1CA12CA1CA2
SCHEMBL31063578 0.74 CA1 (0.42) ESRRAALDH1A1CA12CA1CA2
SCHEMBL8726548 0.73 ALDH1A1 (0.43) ALDH1A1CA12CA1CA2CA9

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 3 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
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