SCHEMBL29587046

SCHEMBL29587046

CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CO)CS[C@H]12)c1csc(N)n1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.86
▸ HTR2C P28335 1/20 0.86
▸ MAPT P10636 3/20 0.83
▸ PPARG P37231 2/20 0.83
▸ SLC22A6 Q4U2R8 2/20 0.83
▸ SLC22A8 Q8TCC7 2/20 0.83
▸ SLC22A11 Q9NSA0 2/20 0.83
▸ ALB P02768 1/20 0.83
▸ PGR P06401 3/20 0.73
▸ KMT2A Q03164 1/20 0.71
▸ DAO P14920 1/20 0.71
▸ SNCA P37840 1/20 0.71
▸ CYP2J2 P51589 1/20 0.71
▸ TDP1 Q9NUW8 4/20 0.71
▸ APEX1 P27695 2/20 0.71
▸ ABCC4 O15439 2/20 0.71
▸ HSD17B10 Q99714 2/20 0.71
▸ CYP1A2 P05177 1/20 0.71
▸ PKM P14618 1/20 0.71
▸ ALDH1A1 P00352 1/20 0.71

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
SCHEMBL10554693 1.00 NR1I2 (0.86) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL5679457 1.00 NR1I2 (0.86) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL10761869 1.00 NR1I2 (0.86) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9658225 1.00 NR1I2 (0.86) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9371771 1.00 NR1I2 (0.86) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL5679450 1.00 NR1I2 (0.86) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL14594285 0.95 NR1I2 (0.86) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL16118738 0.95 NR1I2 (0.86) NR1I2HTR2CMAPTPPARGSLC22A6
Butylamine SCHEMBL10382920 0.94 NR1I2 (0.77) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9593004 0.93 NR1I2 (0.86) NR1I2HTR2CMAPTPPARGSLC22A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116254314-A Synthesis method of cefotaxime impurity E 国药集团威奇达药业有限公司 2023-06-13 — — CN claimed
US-20250180535-A1 METHOD FOR EVALUATING ECOLOGICAL EFFECTS OF ANTIBIOTICS BASED ON BACTERIAL-ARCHAEAL-FUNGAL CO-OCCURRENCE NETWORK ECO-ENVIRONMENT MONITORING & SCI-RESEARCH CENTER (CN) 2025-06-05 — — US disclosed
CN-116466000-A Method for rapidly determining 176 PPCPs content in source water 福建省产品质量检验研究院(福建省缺陷产品召回技术中心) 2023-07-21 — — CN disclosed
CN-116254314-A Synthesis method of cefotaxime impurity E 国药集团威奇达药业有限公司 2023-06-13 — — CN disclosed
CN-113637025-B Cefotaxime magnesium compound, preparation method and application thereof 承德医学院 2023-02-03 — — CN disclosed
CN-114478577-A Preparation method of N-formyl cefotaxime 河北合佳创新医药科技有限公司 2022-05-13 — — CN disclosed
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