SCHEMBL10700025

SCHEMBL10700025

CC(=O)Oc1ccc(CN2CCN(C(=O)Cl)C(=O)C2=O)cc1OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ INSR P06213 1/20 0.38
▸ IGF1R P08069 1/20 0.38
▸ BRD4 O60885 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CFD P00746 1/20 0.36
▸ CYP4F2 P78329 1/20 0.36
▸ CYP4A11 Q02928 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL10701434 0.81 ALDH1A1 (0.42) POLBPTGS1INSRIGF1RALDH1A1
SCHEMBL10700071 0.78 POLB (0.37) POLBINSRIGF1RBRD4GAA
SCHEMBL10701267 0.75 CACNA2D1 (0.37) TSHRCYP2C19
SCHEMBL178994 0.75 KMT2A (0.51) PTGS1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL21955913 0.75 KMT2A (0.54) POLBBRD4GAAMEN1KMT2A
SCHEMBL9770262 0.70 POLB (0.35) POLBINSRIGF1RALDH1A1KDM4E
SCHEMBL108170 0.69 SMN1; SMN2 (0.50) PTGS1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL178998 0.69 POLB (0.46) POLBPTGS1INSRIGF1RALDH1A1
SCHEMBL10530320 0.69 PTGS1 (0.51) PTGS1INSRIGF1RALDH1A1KDM4E
SCHEMBL11862228 0.68 PTGS1 (0.54) PTGS1INSRIGF1RALDH1A1KDM4E

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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