SCHEMBL29408820

SCHEMBL29408820

C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OCC(=O)OCC)c3csc(N)n3)[C@H]2SC1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.84
▸ APEX1 P27695 3/20 0.84
▸ APAF1 O14727 2/20 0.84
▸ LMNA P02545 2/20 0.84
▸ L3MBTL1 Q9Y468 2/20 0.84
▸ TSHR P16473 1/20 0.84
▸ PLCG1 P19174 1/20 0.84
▸ ABCC2 Q92887 1/20 0.84
▸ SIRT5 Q9NXA8 1/20 0.84
▸ PSMD14 O00487 1/20 0.82
▸ MMP2 P08253 1/20 0.82
▸ MAPT P10636 5/20 0.73
▸ ABCC4 O15439 2/20 0.73
▸ CNR1 P21554 1/20 0.73
▸ CTDSP1 Q9GZU7 1/20 0.73
▸ NR1I2 O75469 4/20 0.61
▸ HTR2C P28335 1/20 0.61
▸ ALB P02768 1/20 0.61
▸ PPARG P37231 1/20 0.61
▸ SLC22A6 Q4U2R8 1/20 0.61

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
SCHEMBL9482517 1.00 TDP1 (0.84) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL9482531 1.00 TDP1 (0.84) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL9481457 0.94 TDP1 (0.87) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL5248025 0.94 TDP1 (0.87) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL9481450 0.94 TDP1 (0.87) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL6679698 0.94 TDP1 (0.87) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL9483029 0.93 TDP1 (0.87) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL13403617 0.93 TDP1 (0.87) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL9483015 0.93 TDP1 (0.87) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL6565729 0.93 TDP1 (0.79) TDP1APEX1APAF1LMNAL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114216987-B Method for analyzing cefixime tablets by high performance liquid chromatography 湖南方盛制药股份有限公司 2024-02-02 — — CN disclosed
CN-113740446-B Cefaclor oxime and related substance analysis method for maintaining degradation quality of preparation content 浙江巨泰药业有限公司 2023-06-27 — — CN disclosed
CN-114216987-A Method for analyzing cefixime tablets by high performance liquid chromatography 湖南方盛制药股份有限公司 2022-03-22 — — CN disclosed
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