SCHEMBL11263166

SCHEMBL11263166

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.54
▸ MAPT P10636 8/20 0.48
▸ NR1I2 O75469 4/20 0.48
▸ SLC22A6 Q4U2R8 2/20 0.48
▸ SLC22A8 Q8TCC7 2/20 0.48
▸ SLC22A11 Q9NSA0 2/20 0.48
▸ ALB P02768 1/20 0.48
▸ PPARG P37231 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ TDP1 Q9NUW8 6/20 0.48
▸ HPGD P15428 1/20 0.47
▸ DNMT1 P26358 1/20 0.47
▸ CTDSP1 Q9GZU7 1/20 0.47
▸ POLB P06746 2/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ BLM P54132 2/20 0.47
▸ ESR1 P03372 1/20 0.47
▸ PGR P06401 1/20 0.47
▸ PTGS2 P35354 1/20 0.47

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
SCHEMBL11263159 1.00 PTGS1 (0.54) PTGS1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL11259271 0.94 PTGS1 (0.46) PTGS1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL11259279 0.94 PTGS1 (0.46) PTGS1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL11273492 0.91 PTGS1 (0.57) PTGS1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL11273489 0.91 PTGS1 (0.57) PTGS1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL11271705 0.85 TDP1 (0.57) PTGS1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL11271716 0.85 TDP1 (0.57) PTGS1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL11268169 0.84 PTGS1 (0.48) PTGS1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL11268184 0.84 PTGS1 (0.48) PTGS1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL11259505 0.81 NR1I2 (0.73) PTGS1MAPTNR1I2SLC22A6SLC22A8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4313945-A 7-Thiazolyl-acetamido-cephem derivatives with terminal aminocarboxylic acid grouping CIBA-GEIGY CORPORATION (US) 1982-02-02 — — US disclosed
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