SCHEMBL10493032

SCHEMBL10493032

CCN1CCN(C(=O)NC(C(=O)N[C@@]2(C(=O)O)N3C(=O)[C@@H](NC=O)[C@H]3SC2(C)C)c2ccc(O)c(O)c2)C(=O)C1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ SLC22A6 Q4U2R8 1/20 0.39
▸ SLC22A8 Q8TCC7 1/20 0.39
▸ SLC22A11 Q9NSA0 1/20 0.39
▸ THRB P10828 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CCKBR P32239 1/20 0.35
▸ LMNA P02545 1/20 0.34

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
SCHEMBL11157011 1.00 MAPT (0.39) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10813565 0.93 TDP1 (0.40) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10493303 0.92 MAPT (0.45) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10493223 0.92 MAPT (0.45) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10834184 0.90 MAPT (0.42) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10493262 0.90 MAPT (0.42) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10701799 0.89 MAPT (0.37) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10834483 0.89 MAPT (0.36) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10493034 0.89 MAPT (0.36) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10700846 0.88 MEN1 (0.39) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0071395-B1 BETA-LACTAM ANTIBACTERIAL AGENTS BEECHAM GROUP PLC (GB) 1988-08-10 — — EP claimed
US-4539149-A β-Lactam antibacterial agents BEECHAM GROUP P.L.C. (GB) 1985-09-03 — — US claimed
EP-0071395-A1 Beta-lactam antibacterial agents BEECHAM GROUP PLC (GB) 1983-02-09 — — EP claimed
US-4877783-A β-lactam antibacterial agents BEECHAM GROUP P.L.C. (GB) 1989-10-31 — — US disclosed
EP-0071395-B1 BETA-LACTAM ANTIBACTERIAL AGENTS BEECHAM GROUP PLC (GB) 1988-08-10 — — EP disclosed
US-4609652-A FORMAMIDYL DERIVATIVES OF AMINO ACID DERIVATIVE ANTIBIOTICS BEECHAM GROUP P.L.C. (GB) 1986-09-02 — — US disclosed
US-4539149-A β-Lactam antibacterial agents BEECHAM GROUP P.L.C. (GB) 1985-09-03 — — US disclosed
EP-0071395-A1 Beta-lactam antibacterial agents BEECHAM GROUP PLC (GB) 1983-02-09 — — EP disclosed
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