SCHEMBL7717867

SCHEMBL7717867

O=C(CC[C@H](NCCNC(=O)c1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
HPGD P15428 2/20 0.48
ALDH1A1 P00352 1/20 0.48
ACE P12821 1/20 0.47
PRSS1 P07477 1/20 0.47
CTSG P08311 1/20 0.47
CTRB1 P17538 1/20 0.47
CMA1 P23946 1/20 0.47
GLA P06280 1/20 0.46
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RAB9A P51151 3/20 0.44
EPHX2 P34913 1/20 0.44
NPC1 O15118 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL28138297 0.84 ACE (0.61) MEN1KMT2AHPGDALDH1A1ACE
SCHEMBL28138300 0.84 ACE (0.61) MEN1KMT2AHPGDALDH1A1ACE
SCHEMBL27387111 0.82 ACE (0.55) MEN1KMT2AHPGDALDH1A1ACE
SCHEMBL7717865 0.82 ACE (0.55) MEN1KMT2AHPGDALDH1A1ACE
SCHEMBL27441071 0.82 PRSS1 (0.69) MEN1KMT2AHPGDALDH1A1PRSS1
SCHEMBL21271491 0.81 ALDH1A1 (0.49) MEN1KMT2AHPGDALDH1A1ACE
SCHEMBL21271493 0.81 ALDH1A1 (0.49) MEN1KMT2AHPGDALDH1A1ACE
SCHEMBL21271490 0.81 ALDH1A1 (0.49) MEN1KMT2AHPGDALDH1A1ACE
SCHEMBL12913502 0.79 PRSS1 (0.64) MEN1KMT2AHPGDALDH1A1PRSS1
SCHEMBL29452999 0.79 ACE (0.55) MEN1KMT2AHPGDALDH1A1ACE

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