SCHEMBL11294817

SCHEMBL11294817

CCCCCCCC(=O)Oc1ccc(C(NC(=O)N2CCN(CC)C(=O)C2=O)C(=O)NC2CN(S(=O)(=O)O)C2=O)cc1.[NaH]

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ SLC22A6 Q4U2R8 1/20 0.36
▸ SLC22A8 Q8TCC7 1/20 0.36
▸ SLC22A11 Q9NSA0 1/20 0.36
▸ THRB P10828 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ MEN1 O00255 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CCKBR P32239 1/20 0.30
▸ ESR1 P03372 1/20 0.30

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
SCHEMBL10552990 0.92 TDP1 (0.37) KMT2ASMN1; SMN2MAPTPDE3ASLC22A6
SCHEMBL10557134 0.84 NAAA (0.42) KMT2ASMN1; SMN2MAPTPDE3ASLC22A6
SCHEMBL11058890 0.83 MAPT (0.40) KMT2AMAPTPDE3ASLC22A6SLC22A8
SCHEMBL10547026 0.79 KMT2A (0.44) KMT2ASMN1; SMN2TDP1MEN1ALDH1A1
SCHEMBL10556576 0.76 TDP1 (0.41) KMT2AMAPTPDE3ASLC22A6SLC22A8
SCHEMBL11292991 0.74 PTPRB (0.34) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL11288343 0.74 XIAP (0.34) KMT2AMAPTPDE3ASLC22A6SLC22A8
SCHEMBL11285422 0.73 — —
SCHEMBL10552749 0.71 TDP1 (0.39) KMT2AMAPTPDE3ASLC22A6SLC22A8
SCHEMBL10416585 0.71 MEN1 (0.41) KMT2AMAPTPDE3ASLC22A6SLC22A8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0053387-A1 Method of preparing 1-sulfo-2-oxoazetidine derivatives and intermediates therefor Takeda Chemical Industries, Ltd. (JP) 1982-06-09 — — EP disclosed
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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