SCHEMBL11097222

SCHEMBL11097222

C=CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(=NOCCC(NC(=O)OC(C)(C)C)C(=O)OC(c3ccccc3)c3ccccc3)c3csc(NC=O)n3)[C@@H]2SC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.52
▸ APAF1 O14727 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ APEX1 P27695 1/20 0.52
▸ PLCG1 P19174 1/20 0.52
▸ ABCC2 Q92887 1/20 0.52
▸ SIRT5 Q9NXA8 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ PSMD14 O00487 1/20 0.52
▸ MMP2 P08253 1/20 0.52
▸ MAPT P10636 4/20 0.47
▸ ABCC4 O15439 1/20 0.47
▸ CNR1 P21554 1/20 0.47
▸ CTDSP1 Q9GZU7 1/20 0.47
▸ POLB P06746 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ DUSP3 P51452 1/20 0.40
▸ PTPN5 P54829 1/20 0.40

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
SCHEMBL11097220 1.00 TDP1 (0.52) TDP1APAF1LMNATSHRAPEX1
SCHEMBL9481480 0.96 TDP1 (0.48) TDP1APAF1LMNATSHRAPEX1
SCHEMBL9481497 0.96 TDP1 (0.48) TDP1APAF1LMNATSHRAPEX1
SCHEMBL9749103 0.93 TDP1 (0.53) TDP1APAF1LMNATSHRAPEX1
SCHEMBL9749097 0.93 TDP1 (0.53) TDP1APAF1LMNATSHRAPEX1
SCHEMBL9481997 0.92 TDP1 (0.63) TDP1APAF1LMNATSHRAPEX1
SCHEMBL9482007 0.92 TDP1 (0.63) TDP1APAF1LMNATSHRAPEX1
SCHEMBL9483461 0.89 TDP1 (0.48) TDP1APAF1LMNATSHRAPEX1
SCHEMBL9483454 0.89 TDP1 (0.48) TDP1APAF1LMNATSHRAPEX1
SCHEMBL9481553 0.89 TDP1 (0.58) TDP1APAF1LMNATSHRAPEX1

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-0123024-A2 7-Acylamino-3-vinylcephalosporanic acid derivatives, processes for their preparation, pharmaceutical compositions containing them; their starting compounds and their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-31 — — EP disclosed
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