SCHEMBL7717865

SCHEMBL7717865

O=C(CNC(=O)c1ccccc1)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.55
GLA P06280 1/20 0.53
MAPT P10636 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
ALDH1A1 P00352 1/20 0.47
GPR139 Q6DWJ6 1/20 0.47
NOD2 Q9HC29 1/20 0.47
LMNA P02545 1/20 0.45
TACR1 P25103 1/20 0.45
FAP Q12884 1/20 0.45
STAMBP O95630 1/20 0.44

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
SCHEMBL27387111 1.00 ACE (0.55) ACEGLAMAPTRAB9AMEN1
SCHEMBL28138297 0.88 ACE (0.61) ACERAB9AMEN1KMT2AHPGD
SCHEMBL28138300 0.88 ACE (0.61) ACERAB9AMEN1KMT2AHPGD
SCHEMBL24235727 0.83 MEN1 (0.52) ACEGLAMAPTMEN1KMT2A
SCHEMBL14729351 0.83 ALDH1A1 (0.47) ACEMAPTMEN1KMT2AHPGD
SCHEMBL7717867 0.82 MEN1 (0.48) ACEGLAMAPTRAB9AMEN1
SCHEMBL23446023 0.82 SYK (0.52) ACEMAPTMEN1KMT2AHPGD
SCHEMBL24235647 0.82 ACE (0.54) ACEMAPTMEN1KMT2AHPGD
SCHEMBL10825301 0.82 ACE (0.51) ACEMAPTMEN1KMT2AHPGD
SCHEMBL23446025 0.82 ALDH1A1 (0.49) ACEMEN1KMT2AHPGDALDH1A1

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
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
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