SCHEMBL10595646

SCHEMBL10595646

NC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OCC3CC3)c3csc(N)n3)[C@H]2SC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.73
▸ MAPT P10636 4/20 0.73
▸ PPARG P37231 2/20 0.73
▸ SLC22A6 Q4U2R8 2/20 0.73
▸ SLC22A8 Q8TCC7 2/20 0.73
▸ SLC22A11 Q9NSA0 2/20 0.73
▸ ALB P02768 1/20 0.73
▸ HTR2C P28335 1/20 0.71
▸ TDP1 Q9NUW8 7/20 0.63
▸ APEX1 P27695 3/20 0.63
▸ LMNA P02545 2/20 0.63
▸ L3MBTL1 Q9Y468 2/20 0.63
▸ APAF1 O14727 2/20 0.63
▸ TSHR P16473 2/20 0.63
▸ PLCG1 P19174 1/20 0.63
▸ ABCC2 Q92887 1/20 0.63
▸ SIRT5 Q9NXA8 1/20 0.63
▸ ABCC4 O15439 3/20 0.63
▸ HSD17B10 Q99714 2/20 0.63
▸ ALDH1A1 P00352 2/20 0.63

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
SCHEMBL9433656 0.93 NR1I2 (0.84) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9433644 0.93 NR1I2 (0.84) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9813349 0.93 NR1I2 (0.82) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL11005370 0.92 NR1I2 (0.72) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL11105212 0.92 NR1I2 (0.76) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL11105207 0.92 NR1I2 (0.76) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9692624 0.92 NR1I2 (0.73) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9692631 0.92 NR1I2 (0.73) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL10736525 0.91 NR1I2 (0.73) NR1I2MAPTPPARGSLC22A6SLC22A8
Hydrochloric Acid SCHEMBL10743220 0.91 NR1I2 (0.73) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4560683-A Cephalosporin antibiotics GLAXO GROUP LIMITED (GB) 1985-12-24 — — US claimed
EP-0098161-A2 Cephalosporin compounds GLAXO GROUP LIMITED (GB) 1984-01-11 — — EP claimed
US-4803196-A B-LACTAM ANTIBIOTIC, BASE CARBON DIOXIDE MIXTURE GLAXO GROUP LIMITED (GB) 1989-02-07 — — US disclosed
US-4582830-A STORAGE-STABLE MIXTURE OF CEFTAZIDIME, A BASE AND CARBON DIOXIDE;INJECTIONS GLAXO GROUP LIMITED (GB) 1986-04-15 — — US disclosed
US-4560683-A Cephalosporin antibiotics GLAXO GROUP LIMITED (GB) 1985-12-24 — — US disclosed
EP-0098161-A2 Cephalosporin compounds GLAXO GROUP LIMITED (GB) 1984-01-11 — — EP disclosed
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