SCHEMBL10782284

SCHEMBL10782284

CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(=NO)c3csc(N)n3)[C@H]2SC1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.85
▸ MAPT P10636 4/20 0.85
▸ PPARG P37231 2/20 0.85
▸ SLC22A6 Q4U2R8 2/20 0.85
▸ SLC22A8 Q8TCC7 2/20 0.85
▸ SLC22A11 Q9NSA0 2/20 0.85
▸ ALB P02768 1/20 0.85
▸ HTR2C P28335 1/20 0.74
▸ TDP1 Q9NUW8 7/20 0.73
▸ APEX1 P27695 3/20 0.73
▸ ABCC4 O15439 3/20 0.73
▸ LMNA P02545 2/20 0.73
▸ L3MBTL1 Q9Y468 2/20 0.73
▸ CYP1A2 P05177 1/20 0.73
▸ PKM P14618 1/20 0.73
▸ HSD17B10 Q99714 1/20 0.73
▸ ALDH1A1 P00352 1/20 0.73
▸ POLB P06746 1/20 0.73
▸ RECQL P46063 1/20 0.73
▸ NPSR1 Q6W5P4 1/20 0.73

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
SCHEMBL8865950 1.00 NR1I2 (0.85) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL8865962 1.00 NR1I2 (0.85) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL10764553 1.00 NR1I2 (0.85) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL10764568 1.00 NR1I2 (0.85) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL27288111 0.93 NR1I2 (0.74) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL7809090 0.93 NR1I2 (0.74) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL7828952 0.93 NR1I2 (0.74) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9643866 0.92 NR1I2 (0.74) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9642542 0.92 NR1I2 (0.74) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9738946 0.92 NR1I2 (0.74) NR1I2MAPTPPARGSLC22A6SLC22A8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4680390-A CEPHALOSPORINS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-07-14 — — US disclosed
US-4520194-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-05-28 — — US disclosed
US-4510138-A 7-[2-(2-Aminothiazol-4-yl)-2-(syn)-methoxyiminoacetamido]cephalosporin derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-04-09 — — US disclosed
US-4278671-A ANTIBIOTICS, BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-07-14 — — US disclosed
EP-0018155-A2 Novel cephalosporin compounds, a process for the preparation thereof, pharmaceutical compositions containing the same and the use thereof as a therapeutic agent against a microorganism NOVO NORDISK A/S (DK) 1980-10-29 — — EP disclosed
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