SCHEMBL11398202

SCHEMBL11398202

CCCCCCCCN1CCN(C(=O)NC(C(=O)NC2CNC2=O)c2ccc(O)cc2)C(=O)C1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ SLC22A6 Q4U2R8 1/20 0.44
▸ SLC22A8 Q8TCC7 1/20 0.44
▸ SLC22A11 Q9NSA0 1/20 0.44
▸ THRB P10828 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ NAAA Q02083 9/20 0.41
▸ ASAH1 Q13510 2/20 0.38
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CCKBR P32239 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ CCR2 P41597 1/20 0.34
▸ CTSL P07711 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
SCHEMBL11065314 0.92 MEN1 (0.42) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10545073 0.92 MEN1 (0.42) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10546201 0.91 MEN1 (0.43) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10545315 0.89 MAPT (0.50) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10546563 0.84 NAAA (0.39) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10541610 0.83 NAAA (0.37) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10557134 0.83 NAAA (0.42) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL11394044 0.82 TDP1 (0.42) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10545391 0.81 MAPT (0.43) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10695608 0.81 MEN1 (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0021678-A1 1-Sulpho-2-oxoazetidine derivatives, their production and pharmaceutical compositions thereof Takeda Chemical Industries, Ltd. (JP) 1981-01-07 — — EP disclosed
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