SCHEMBL7716617

SCHEMBL7716617

O=C(O)CCC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.54
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 2/20 0.49
HPGD P15428 1/20 0.49
MME P08473 1/20 0.49
FOLH1 Q04609 3/20 0.47
CASP1 P29466 1/20 0.46
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 1/20 0.45
MBTPS1 Q14703 1/20 0.45
CCKBR P32239 1/20 0.45

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
SCHEMBL24235647 1.00 ACE (0.54) ACEKMT2AALDH1A1MEN1HPGD
SCHEMBL23475261 0.94 MEN1 (0.50) ACEKMT2AALDH1A1MEN1HPGD
SCHEMBL18196507 0.90 FOLH1 (0.50) ACEKMT2AALDH1A1MEN1HPGD
SCHEMBL19401695 0.90 ACE (0.51) ACEKMT2AALDH1A1MEN1HPGD
SCHEMBL20322999 0.90 ACE (0.51) ACEKMT2AALDH1A1MEN1HPGD
SCHEMBL10825301 0.90 ACE (0.51) ACEKMT2AALDH1A1MEN1HPGD
SCHEMBL24983660 0.89 KMT2A (0.50) ACEKMT2AALDH1A1MEN1HPGD
SCHEMBL28713376 0.89 KMT2A (0.50) ACEKMT2AALDH1A1MEN1HPGD
SCHEMBL24235727 0.89 MEN1 (0.52) ACEKMT2AALDH1A1MEN1HPGD
SCHEMBL13416240 0.88 KMT2A (0.56) ACEKMT2AALDH1A1MEN1HPGD

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 2 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
US-5985281-A ANTIBODY DIRECTED ENZYME PRODRUG THERAPY (ADEPT) USING A NON-NATURALLY OCCURING MUTANT FORM OF A HOST ENZYME, ESPECIALLY A MUTANT FORM OF RIBONUCLEASE. ZENECA LIMITED (GB) 1999-11-16 US disclosed