SCHEMBL8545707

SCHEMBL8545707

C=CCOC(=O)N1CC(O)CC1C(=O)OCc1ccc(OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
FABP7 O15540 1/20 0.39
FABP5 Q01469 1/20 0.39
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
CYP19A1 P11511 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CYP3A4 P08684 1/20 0.37
MMP2 P08253 1/20 0.37
ANPEP P15144 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
P2RX4 Q99571 1/20 0.36
MAPKAPK2 P49137 1/20 0.35

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
SCHEMBL8545366 0.85 FABP7 (0.36) FABP7FABP5TP53TSHRCYP19A1
SCHEMBL7807916 0.85 POLB (0.51) POLBFABP7FABP5TP53CYP3A4
SCHEMBL10390625 0.85 POLB (0.51) POLBFABP7FABP5TP53CYP3A4
SCHEMBL9205704 0.82 GAA (0.48) POLBALDH1A1HPGD
SCHEMBL9199841 0.82 GAA (0.48) POLBALDH1A1HPGD
SCHEMBL9728346 0.82 GAA (0.48) POLBALDH1A1HPGD
SCHEMBL9727869 0.82 GAA (0.48) POLBALDH1A1HPGD
SCHEMBL9728425 0.82 GAA (0.48) POLBALDH1A1HPGD
SCHEMBL9727808 0.82 GAA (0.48) POLBALDH1A1HPGD
SCHEMBL7806845 0.81 POLB (0.52) POLBFABP7FABP5TP53ALDH1A1

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
EP-0584085-B1 ANTIBIOTIC CARBAPENEM DERIVATIVES ZENECA LTD (GB) 1998-09-09 EP disclosed
US-5554606-A THIENAMYCIN DERIVATIVES; PSEUDOMONAS ZENECA LIMITED (GB) 1996-09-10 US disclosed
EP-0584085-A1 ANTIBIOTIC CARBAPENEM DERIVATIVES ZENECA LIMITED (GB) 1994-03-02 EP disclosed
WO-1992017479-A1 ANTIBIOTIC CARBAPENEM DERIVATIVES ZENECA LTD. (GB) 1992-10-15 WO disclosed