SCHEMBL10762794

SCHEMBL10762794

CCN1CCN(C(=O)NC([C]=O)c2ccc(OS)cc2)C(=O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ SLC22A6 Q4U2R8 1/20 0.33
▸ SLC22A8 Q8TCC7 1/20 0.33
▸ SLC22A11 Q9NSA0 1/20 0.33
▸ THRB P10828 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ GAA P10253 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ PDE2A O00408 2/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC2 Q92769 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
SCHEMBL10547877 0.90 KMT2A (0.40) POLBMAPTTHRBHSD17B10GAA
SCHEMBL9468060 0.88 KMT2A (0.34) POLBMAPTPDE3ASLC22A6SLC22A8
SCHEMBL6875807 0.86 MAPT (0.39) POLBMAPTPDE3ASLC22A6SLC22A8
SCHEMBL10545939 0.86 MAPT (0.32) POLBMAPTPDE3ASLC22A6SLC22A8
SCHEMBL10540280 0.85 POLB (0.39) POLBHSD17B10GAASMN1; SMN2L3MBTL1
SCHEMBL8626971 0.85 POLB (0.38) POLBMAPTGAAMEN1KMT2A
SCHEMBL10543451 0.84 SMN1; SMN2 (0.34) POLBMAPTPDE3ASLC22A6SLC22A8
SCHEMBL10541152 0.84 CTSL (0.41) POLBMAPTTDP1KDM4EMEN1
SCHEMBL10543056 0.84 ACACB (0.41) KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL9329034 0.83 POLB (0.33) POLBMAPTPDE3ASLC22A6SLC22A8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0234549-A2 Method for production of cephalosporin compounds Takeda Chemical Industries, Ltd. (JP) 1987-09-02 — — EP disclosed
EP-0135683-A1 Method for production of cephalosporin compounds Takeda Chemical Industries, Ltd. (JP) 1985-04-03 — — EP disclosed
EP-0021678-B1 1-SULPHO-2-OXOAZETIDINE DERIVATIVES, THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS THEREOF Takeda Chemical Industries, Ltd. (JP) 1984-11-07 — — EP disclosed
EP-0093376-A2 1-Sulfo-2-azetidinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1983-11-09 — — EP disclosed
EP-0074611-A2 Method for production of cephalosporin compounds Takeda Chemical Industries, Ltd. (JP) 1983-03-23 — — EP disclosed
EP-0053816-A1 1-Sulfo-2-oxoazetidine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-06-16 — — EP disclosed
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