SCHEMBL11354874

SCHEMBL11354874

CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OC(C)(C)C(=O)OC(C)(C)C)c3nsc(NC(=O)OC(C)(C)C)n3)[C@H]2SC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.52
▸ NR1I2 O75469 6/20 0.52
▸ SLC22A6 Q4U2R8 2/20 0.52
▸ SLC22A8 Q8TCC7 2/20 0.52
▸ SLC22A11 Q9NSA0 2/20 0.52
▸ ALB P02768 1/20 0.52
▸ PPARG P37231 1/20 0.52
▸ CTDSP1 Q9GZU7 2/20 0.48
▸ TDP1 Q9NUW8 6/20 0.48
▸ PGR P06401 2/20 0.47
▸ ESR1 P03372 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ L3MBTL1 Q9Y468 4/20 0.45
▸ APEX1 P27695 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ PKM P14618 1/20 0.45

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
SCHEMBL11354879 0.92 NR1I2 (0.43) MAPTNR1I2SLC22A6SLC22A8SLC22A11
SCHEMBL18939193 0.91 NR1I2 (0.43) MAPTNR1I2SLC22A6SLC22A8SLC22A11
SCHEMBL18939191 0.91 NR1I2 (0.43) MAPTNR1I2SLC22A6SLC22A8SLC22A11
SCHEMBL10856495 0.90 NR1I2 (0.59) MAPTNR1I2SLC22A6SLC22A8SLC22A11
SCHEMBL15495375 0.87 NR1I2 (0.64) MAPTNR1I2SLC22A6SLC22A8SLC22A11
SCHEMBL9122201 0.87 NR1I2 (0.54) MAPTNR1I2SLC22A6SLC22A8SLC22A11
SCHEMBL9122199 0.87 NR1I2 (0.54) MAPTNR1I2SLC22A6SLC22A8SLC22A11
SCHEMBL9121165 0.85 NR1I2 (0.46) MAPTNR1I2SLC22A6SLC22A8SLC22A11
SCHEMBL9121170 0.85 NR1I2 (0.46) MAPTNR1I2SLC22A6SLC22A8SLC22A11
SCHEMBL11038915 0.84 NR1I2 (0.52) MAPTNR1I2SLC22A6SLC22A8SLC22A11

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
EP-0047977-A2 Cephalosporin derivatives, process for their preparation, pharmaceutical compositions containing them and their use CIBA-GEIGY AG (CH) 1982-03-24 — — EP disclosed
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