SCHEMBL10699717

SCHEMBL10699717

C[C@H]1C(=S)N2[C@@H]1SC(C)(C)[C@]2(NC(=O)C(NC(=O)N1CCN(CCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C(=O)C1=O)c1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CCKBR P32239 1/20 0.33
▸ ADAMTS5 Q9UNA0 3/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ APAF1 O14727 1/20 0.30
▸ CYP1A2 P05177 2/20 0.30
▸ CYP3A4 P08684 2/20 0.30
▸ CYP2D6 P10635 2/20 0.30
▸ CYP2C9 P11712 2/20 0.30
▸ TSHR P16473 2/20 0.30
▸ CYP2C19 P33261 2/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ALDH1A1 P00352 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
SCHEMBL10702810 0.94 LMNA (0.34) LMNAKMT2AMEN1CCKBRADAMTS5
SCHEMBL10700881 0.88 LMNA (0.36) LMNAKMT2AMEN1CCKBRADAMTS5
SCHEMBL10699826 0.88 LMNA (0.35) LMNAKMT2AMEN1CCKBRSMN1; SMN2
SCHEMBL10699846 0.87 LMNA (0.33) LMNAKMT2AMEN1CCKBRSMN1; SMN2
SCHEMBL10702632 0.87 — —
SCHEMBL10700830 0.85 LMNA (0.35) LMNAKMT2AMEN1CCKBR
SCHEMBL10699319 0.83 LMNA (0.35) LMNAKMT2AMEN1CCKBRSMN1; SMN2
SCHEMBL10701030 0.83 LMNA (0.34) LMNAKMT2AMEN1CCKBRSMN1; SMN2
SCHEMBL10702663 0.81 LMNA (0.36) LMNAKMT2AMEN1CCKBRADAMTS5
SCHEMBL10699951 0.77 — —

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-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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