SCHEMBL11248518

SCHEMBL11248518

CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(=O)c3cscn3)[C@H]2SC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 8/20 0.62
▸ MAPT P10636 10/20 0.61
▸ NR1I2 O75469 4/20 0.61
▸ SLC22A6 Q4U2R8 2/20 0.61
▸ SLC22A8 Q8TCC7 2/20 0.61
▸ SLC22A11 Q9NSA0 2/20 0.61
▸ ALB P02768 1/20 0.61
▸ PPARG P37231 1/20 0.61
▸ ESR1 P03372 1/20 0.61
▸ PGR P06401 1/20 0.61
▸ PTGS2 P35354 1/20 0.61
▸ KDR P35968 1/20 0.61
▸ L3MBTL1 Q9Y468 4/20 0.59
▸ PTGS1 P23219 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ DNMT1 P26358 1/20 0.59
▸ CTDSP1 Q9GZU7 1/20 0.59
▸ MAPK1 P28482 1/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55

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
SCHEMBL11246339 0.90 MAPT (0.65) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL11010391 0.88 NR1I2 (0.76) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL11375976 0.87 MAPT (0.65) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL11372310 0.86 MAPT (0.65) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL10676259 0.86 NR1I2 (0.67) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL11796575 0.86 NR1I2 (0.76) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL11252200 0.85 MAPT (0.64) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL8973257 0.85 MAPT (0.80) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL8973246 0.85 MAPT (0.80) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL6693576 0.85 MAPT (0.80) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0006146-B1 CEPHEM DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1982-09-15 — — EP disclosed
US-4282220-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1981-08-04 — — US disclosed
EP-0006146-A1 Cephem derivatives, process for their preparation and pharmaceutical compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1980-01-09 — — EP disclosed
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