SCHEMBL7711932

SCHEMBL7711932

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ESRRA P11474 1/20 0.43
KMT2A Q03164 3/20 0.41
LMNA P02545 1/20 0.41
GFER P55789 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALOX15 P16050 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
ELANE P08246 2/20 0.39
SRD5A1 P18405 1/20 0.39
PARP10 Q53GL7 4/20 0.39
PARP15 Q460N3 2/20 0.39
PARP14 Q460N5 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 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
SCHEMBL1028144 0.85 ALOX15 (0.48) CA12CA1CA2CA9CA14
SCHEMBL5918245 0.83 HPGD (0.54) CA12CA1CA2CA9CA14
SCHEMBL31063578 0.82 CA1 (0.42) CA12CA1CA2CA9CA14
SCHEMBL7717398 0.79 TSHR (0.50) KMT2ALMNAL3MBTL1NR1H4MAPT
SCHEMBL4466049 0.78 CA12 (0.42) CA12CA1CA2CA9CA14
SCHEMBL31063581 0.78 TDP1 (0.43) CA12CA1CA2CA9CA14
SCHEMBL21919742 0.78 PARP10 (0.53) KMT2ALMNAGFERL3MBTL1PARP10
SCHEMBL8762387 0.78 NR4A1 (0.58) KMT2ALMNAGFERL3MBTL1MAPT
SCHEMBL27525509 0.77 CA12 (0.53) CA12CA1CA2CA9CA14
SCHEMBL11887260 0.77 PARP10 (0.55) CA12CA1CA2CA9CA14

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