SCHEMBL8545366

SCHEMBL8545366

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 1/20 0.36
FABP5 Q01469 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
CYP19A1 P11511 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
P2RX4 Q99571 1/20 0.34
ELANE P08246 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
FAAH O00519 1/20 0.33
GRIN2B Q13224 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL8545707 0.85 POLB (0.42) FABP7FABP5TP53TSHRCYP19A1
SCHEMBL9728358 0.83 GAA (0.44) ALDH1A1HPGD
SCHEMBL9728362 0.83 GAA (0.44) ALDH1A1HPGD
SCHEMBL9738223 0.81 CYP19A1 (0.42) CYP19A1ALDH1A1
SCHEMBL9130961 0.81 CYP19A1 (0.42) CYP19A1ALDH1A1
SCHEMBL9737498 0.81 CYP19A1 (0.42) TP53TSHRCYP19A1CA1CA2
SCHEMBL5095470 0.77 ATM (0.34) CYP19A1FAAH
SCHEMBL8786851 0.77 ATM (0.34) CYP19A1FAAH
SCHEMBL5095282 0.77 ATM (0.34) CYP19A1FAAH
SCHEMBL9202926 0.76 POLB (0.46) TP53TSHRALDH1A1

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