SCHEMBL10700196

SCHEMBL10700196

CC(=O)Oc1ccc(N2CCN(C(=O)NC(C(=O)O)c3ccccc3)C(=O)C2=O)cc1OC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ CCKBR P32239 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ TOP1 P11387 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ATM Q13315 2/20 0.34
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ PKM P14618 1/20 0.33

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
SCHEMBL10700071 0.82 POLB (0.37) MEN1KMT2APOLBGAAATM
SCHEMBL11607315 0.81 MEN1 (0.41) MEN1KMT2ACCKBRPOLBLMNA
SCHEMBL10401867 0.77 TSHR (0.34) TSHRPOLBTOP1LMNAKDM4E
SCHEMBL10700121 0.73 BRD4 (0.36) MEN1KMT2ACCKBRPOLBLMNA
SCHEMBL11605827 0.73 KMT2A (0.42) MEN1KMT2ACCKBRLMNAALDH1A1
SCHEMBL10702187 0.72 LMNA (0.35) MEN1KMT2ACCKBRLMNAALDH1A1
SCHEMBL10402768 0.72 CACNA2D1 (0.41) TSHRMEN1KMT2ALMNAALDH1A1
SCHEMBL10437840 0.71 TOP1 (0.59) TSHRTOP1KDM4EALDH1A1GAA
SCHEMBL11733894 0.71 KMT2A (0.42) MEN1KMT2ACCKBRLMNAALDH1A1
SCHEMBL7828421 0.70 ATM (0.42) TSHRMEN1KMT2ACCKBRPOLB

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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