SCHEMBL9778349

SCHEMBL9778349

CC1=NC(C(O)O/N=C(\C(=O)NC2C(=O)N3C(C(=O)O)=C(CSc4cnns4)CS[C@@H]23)c2csc(N)n2)=CC(=O)C1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 4/20 0.55
▸ PGR P06401 2/20 0.55
▸ PPARG P37231 2/20 0.54
▸ SLC22A6 Q4U2R8 2/20 0.54
▸ SLC22A8 Q8TCC7 2/20 0.54
▸ SLC22A11 Q9NSA0 2/20 0.54
▸ DAO P14920 1/20 0.54
▸ SNCA P37840 1/20 0.54
▸ CYP2J2 P51589 1/20 0.54
▸ HTR2C P28335 1/20 0.54
▸ ABCC4 O15439 3/20 0.54
▸ MAPT P10636 5/20 0.53
▸ ALB P02768 1/20 0.53
▸ KMT2A Q03164 1/20 0.51
▸ TDP1 Q9NUW8 7/20 0.48
▸ APEX1 P27695 4/20 0.48
▸ APAF1 O14727 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ TSHR P16473 1/20 0.48

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
SCHEMBL9778792 0.92 NR1I2 (0.55) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9778338 0.87 NR1I2 (0.74) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9600311 0.86 NR1I2 (0.61) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9600294 0.86 NR1I2 (0.61) NR1I2PGRPPARGSLC22A6SLC22A8
Cefuzonam SCHEMBL4811935 0.86 NR1I2 (0.73) NR1I2PGRPPARGSLC22A6SLC22A8
Cefuzonam SCHEMBL11144465 0.86 NR1I2 (0.73) NR1I2PGRPPARGSLC22A6SLC22A8
Cefuzonam SCHEMBL9573537 0.86 NR1I2 (0.73) NR1I2PGRPPARGSLC22A6SLC22A8
Cefuzonam SCHEMBL149484 0.86 NR1I2 (0.73) NR1I2PGRPPARGSLC22A6SLC22A8
Cefuzonam SCHEMBL10363005 0.86 NR1I2 (0.73) NR1I2PGRPPARGSLC22A6SLC22A8
Cefuzonam SCHEMBL149485 0.86 NR1I2 (0.73) NR1I2PGRPPARGSLC22A6SLC22A8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5075299-A CEPHALOSPORIN COMPOUNDS AND ANTIBACTERIAL AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 1991-12-24 — — US claimed
US-5075299-A CEPHALOSPORIN COMPOUNDS AND ANTIBACTERIAL AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 1991-12-24 — — US disclosed
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