SCHEMBL10490774

SCHEMBL10490774

CCN1CCN(C(=O)NC(C(=O)O)c2ccc(O)c(O)c2)C(=O)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ YARS1 P54577 1/20 0.42
▸ MAPT P10636 5/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ SLC22A6 Q4U2R8 1/20 0.38
▸ SLC22A8 Q8TCC7 1/20 0.38
▸ SLC22A11 Q9NSA0 1/20 0.38
▸ TDP1 Q9NUW8 6/20 0.38
▸ KDM4E B2RXH2 6/20 0.38
▸ HSD17B10 Q99714 5/20 0.38
▸ BLM P54132 5/20 0.38
▸ TSHR P16473 4/20 0.38
▸ NFKB1 P19838 3/20 0.38
▸ HIF1A Q16665 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ ADRB2 P07550 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ RXFP1 Q9HBX9 2/20 0.38
▸ THPO P40225 2/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
Water SCHEMBL10490800 0.99 YARS1 (0.42) YARS1MAPTPDE3ASLC22A6SLC22A8
SCHEMBL10817167 0.91 TDP1 (0.40) YARS1MAPTPDE3ASLC22A6SLC22A8
SCHEMBL11582652 0.90 POLB (0.41) YARS1MAPTPDE3ASLC22A6SLC22A8
SCHEMBL10770220 0.90 MAPT (0.36) YARS1MAPTPDE3ASLC22A6SLC22A8
SCHEMBL10404206 0.90 MAPT (0.36) YARS1MAPTPDE3ASLC22A6SLC22A8
SCHEMBL9327248 0.87 MAPT (0.46) YARS1MAPTPDE3ASLC22A6SLC22A8
SCHEMBL9567734 0.87 MAPT (0.46) YARS1MAPTPDE3ASLC22A6SLC22A8
SCHEMBL11431737 0.87 MAPT (0.46) YARS1MAPTPDE3ASLC22A6SLC22A8
SCHEMBL7828421 0.84 ATM (0.42) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL8597022 0.84 ATM (0.42) MAPTPDE3ASLC22A6SLC22A8SLC22A11

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4877783-A β-lactam antibacterial agents BEECHAM GROUP P.L.C. (GB) 1989-10-31 — — US disclosed
US-4835150-A ANTIBIOTICS BEECHAM GROUP P.L.C. (GB) 1989-05-30 — — US disclosed
EP-0308559-A2 Cephalosporins, process for their preparation, pharmaceutical compositions containing them and intermediates BEECHAM GROUP PLC (GB) 1989-03-29 — — EP disclosed
EP-0071395-B1 BETA-LACTAM ANTIBACTERIAL AGENTS BEECHAM GROUP PLC (GB) 1988-08-10 — — EP disclosed
EP-0233173-A1 1-[3-(2-Hydroxy-3-alkylamino-propoxy)-2-thienyl]-3-phenyl-1-propanones and their acid addition salts, process for their preparation and pharmaceutical compositions containing them Laevosan-Gesellschaft m.b.H. (AT) 1987-08-19 — — EP disclosed
EP-0093564-B1 BETA-LACTAM ANTIBIOTICS BEECHAM GROUP PLC (GB) 1987-06-24 — — EP disclosed
EP-0219926-A2 Cephalosporins, processes for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1987-04-29 — — EP disclosed
US-4609652-A FORMAMIDYL DERIVATIVES OF AMINO ACID DERIVATIVE ANTIBIOTICS BEECHAM GROUP P.L.C. (GB) 1986-09-02 — — US disclosed
US-4540688-A β-Lactam antibiotics BEECHAM GROUP P.L.C. (GB) 1985-09-10 — — US disclosed
US-4539149-A β-Lactam antibacterial agents BEECHAM GROUP P.L.C. (GB) 1985-09-03 — — US disclosed
EP-0131611-A1 $g(b)-LACTAM ANTIBACTERIAL AGENTS BEECHAM GROUP PLC (GB) 1985-01-23 — — EP disclosed
WO-1984002911-A1 beta-LACTAM ANTIBACTERIAL AGENTS BEECHAM GROUP PLC (GB) 1984-08-02 — — WO disclosed
EP-0071395-A1 Beta-lactam antibacterial agents BEECHAM GROUP PLC (GB) 1983-02-09 — — EP disclosed
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