SCHEMBL10700810

SCHEMBL10700810

CC1(C)S[C@@H]2[C@H](NC=O)C(=O)N2[C@@]1(NC(=O)C(NC(=O)N1CCN(CCc2ccc(O)c(O)c2)C(=O)C1=O)c1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CCKBR P32239 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ CA1 P00915 9/20 0.34
▸ CA2 P00918 9/20 0.34
▸ 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 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.31
▸ ERCC1 P07992 1/20 0.30
▸ ERCC4 Q92889 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
SCHEMBL10701237 0.94 LMNA (0.40) MEN1KMT2ACCKBRLMNACA1
SCHEMBL10700846 0.93 MEN1 (0.39) MEN1KMT2ACCKBRLMNACA1
SCHEMBL10701799 0.89 MAPT (0.37) MEN1KMT2ACCKBRLMNACA1
SCHEMBL11157011 0.87 MAPT (0.39) MEN1KMT2ACCKBRLMNAMAPT
SCHEMBL10700146 0.87 MEN1 (0.41) MEN1KMT2ACCKBRLMNACA1
SCHEMBL10493032 0.87 MAPT (0.39) MEN1KMT2ACCKBRLMNAMAPT
SCHEMBL10701516 0.85 MEN1 (0.38) MEN1KMT2ACCKBRLMNACA1
SCHEMBL10701775 0.84 MEN1 (0.39) MEN1KMT2ACCKBRLMNACA1
SCHEMBL10699826 0.84 LMNA (0.35) MEN1KMT2ACCKBRLMNAMAPT
SCHEMBL10700366 0.83 MEN1 (0.31) MEN1KMT2ACCKBRMAPTPDE3A

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-0293532-A1 6- or 7-beta-[2-[4-(substituted)-2,3-dioxopiperazin-1-yl) carbonylamino]-(substituted)acetamido]-penicillin and cephalosporin derivatives BEECHAM GROUP PLC (GB) 1988-12-07 — — EP claimed
EP-0293532-A1 6- or 7-beta-[2-[4-(substituted)-2,3-dioxopiperazin-1-yl) carbonylamino]-(substituted)acetamido]-penicillin and cephalosporin derivatives BEECHAM GROUP PLC (GB) 1988-12-07 — — EP disclosed
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