SCHEMBL10699319

SCHEMBL10699319

CO[C@H]1C(=O)N2[C@@H]1SC(C)(C)[C@]2(NC(=O)C(NC(=O)N1CCN(Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C(=O)C1=O)c1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.35
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ CCKBR P32239 1/20 0.34
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ TSHR P16473 3/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL10701030 0.92 LMNA (0.34) LMNAMEN1KMT2ACCKBRNPC1
SCHEMBL10702663 0.90 LMNA (0.36) LMNAMEN1KMT2ACCKBRNPC1
SCHEMBL10702810 0.89 LMNA (0.34) LMNAMEN1KMT2ACCKBRNPC1
SCHEMBL10699951 0.85 — —
SCHEMBL10702117 0.85 LMNA (0.32) LMNAMEN1KMT2ACCKBRTSHR
SCHEMBL10699826 0.84 LMNA (0.35) LMNAMEN1KMT2ACCKBRTSHR
SCHEMBL10702686 0.84 LMNA (0.31) LMNAMEN1KMT2ACCKBR
SCHEMBL10699717 0.83 LMNA (0.34) LMNAMEN1KMT2ACCKBRTSHR
SCHEMBL10701748 0.83 MEN1 (0.37) LMNAMEN1KMT2ACCKBRTSHR
SCHEMBL10702632 0.83 — —

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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