SCHEMBL11459705

SCHEMBL11459705

CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(=O)c3csc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)n3)[C@H]2SC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.59
▸ MAPT P10636 9/20 0.58
▸ NR1I2 O75469 5/20 0.58
▸ SLC22A6 Q4U2R8 2/20 0.58
▸ SLC22A8 Q8TCC7 2/20 0.58
▸ SLC22A11 Q9NSA0 2/20 0.58
▸ ALB P02768 1/20 0.58
▸ PPARG P37231 1/20 0.58
▸ CTDSP1 Q9GZU7 3/20 0.56
▸ DNMT1 P26358 2/20 0.56
▸ PTGS1 P23219 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ L3MBTL1 Q9Y468 5/20 0.55
▸ ESR1 P03372 1/20 0.51
▸ PGR P06401 1/20 0.51
▸ PTGS2 P35354 1/20 0.51
▸ KDR P35968 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ POLB P06746 3/20 0.50
▸ APEX1 P27695 2/20 0.50

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
SCHEMBL10532908 0.90 NR1I2 (0.74) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL11281925 0.90 NR1I2 (0.74) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL11039470 0.90 NR1I2 (0.74) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL11281918 0.90 NR1I2 (0.74) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL8982879 0.90 NR1I2 (0.74) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL11039460 0.90 NR1I2 (0.74) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL8982871 0.90 NR1I2 (0.74) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL6703100 0.89 CA5A (0.48) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL9344856 0.89 MAPT (0.64) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL9684935 0.89 MAPT (0.64) TDP1MAPTNR1I2SLC22A6SLC22A8

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-4201779-A 7[(2-Amino-thiazol-4-yl)glyoxylamido]-cephem derivatives and processes for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1980-05-06 — — US disclosed
EP-0005785-A1 Cephalosporin derivatives, process for their preparation, pharmaceutical compositions containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1979-12-12 — — EP disclosed
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