SCHEMBL7709512

SCHEMBL7709512

N[C@@H](CC(=O)Oc1ccccc1)C(=O)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP19A1 P11511 1/20 0.44
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
SLC1A3 P43003 1/20 0.41
ELANE P08246 2/20 0.40
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
SLC7A5 Q01650 1/20 0.39
SLC15A1 P46059 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
LTA4H P09960 2/20 0.38
SLC1A5 Q15758 1/20 0.37
ALOX15 P16050 2/20 0.37

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
SCHEMBL61488 0.88 KIF11 (0.46) ATML3MBTL1CYP19A1SLC1A3ELANE
SCHEMBL27761275 0.88 ATM (0.44) ATML3MBTL1SLC1A3ELANESLC7A5
SCHEMBL27867103 0.88 ATM (0.44) ATML3MBTL1SLC1A3ELANESLC7A5
SCHEMBL7782885 0.87 ATM (0.45) ATML3MBTL1SLC1A3ELANEALPI
SCHEMBL7782886 0.87 ATM (0.45) ATML3MBTL1SLC1A3ELANEALPI
SCHEMBL7782888 0.87 ALPI (0.48) CYP19A1PRSS1PRSS2PRSS3SLC1A3
SCHEMBL7782168 0.86 L3MBTL1 (0.44) ATML3MBTL1PRSS1PRSS2PRSS3
SCHEMBL7782165 0.86 L3MBTL1 (0.44) ATML3MBTL1PRSS1PRSS2PRSS3
SCHEMBL8421334 0.86 PRSS1 (0.45) ATML3MBTL1CYP19A1PRSS1PRSS2
SCHEMBL27781916 0.85 ALDH1A1 (0.44) ATML3MBTL1CYP19A1PRSS1PRSS2

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 8 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-0806964-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2002-08-14 EP 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
CN-1193278-A Chemical compounds ZENECA LTD (GB) 1998-09-16 CN disclosed
EP-0844885-A2 CHEMICAL COMPOUNDS ZENECA LIMITED (GB) 1998-06-03 EP disclosed
EP-0806964-A1 CHEMICAL COMPOUNDS ZENECA LIMITED (GB) 1997-11-19 EP disclosed
WO-1997007769-A2 CHEMICAL COMPOUNDS ZENECA LIMITED (GB) 1997-03-06 WO disclosed
WO-1996020011-A1 CHEMICAL COMPOUNDS ZENECA LIMITED (GB) 1996-07-04 WO disclosed