SCHEMBL11042947

SCHEMBL11042947

NC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(NC(=O)c3coc4cc(O)c(O)cc4c3=O)c3ccccc3)[C@@H]2SC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ ALDH1A1 P00352 7/20 0.47
▸ TDP1 Q9NUW8 6/20 0.47
▸ HSD17B10 Q99714 6/20 0.47
▸ NR1I2 O75469 3/20 0.47
▸ PGR P06401 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAPT P10636 6/20 0.42
▸ HPGD P15428 4/20 0.42
▸ CTDSP1 Q9GZU7 2/20 0.42
▸ DNMT1 P26358 1/20 0.42
▸ SLC22A6 Q4U2R8 1/20 0.42
▸ SLC22A8 Q8TCC7 1/20 0.42
▸ SLC22A11 Q9NSA0 1/20 0.42
▸ PTPN11 Q06124 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ MEN1 O00255 2/20 0.41

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
SCHEMBL11046707 0.96 PTGS1 (0.47) PTGS1L3MBTL1ALDH1A1TDP1HSD17B10
SCHEMBL11378592 0.93 PTGS1 (0.60) PTGS1L3MBTL1ALDH1A1TDP1HSD17B10
SCHEMBL11358244 0.90 PTGS1 (0.54) PTGS1L3MBTL1ALDH1A1TDP1HSD17B10
SCHEMBL11042927 0.89 PTGS1 (0.54) PTGS1L3MBTL1ALDH1A1TDP1HSD17B10
SCHEMBL11044080 0.89 PTGS1 (0.46) PTGS1L3MBTL1ALDH1A1TDP1HSD17B10
SCHEMBL11388339 0.86 PTGS1 (0.59) PTGS1L3MBTL1ALDH1A1TDP1HSD17B10
SCHEMBL10991005 0.86 L3MBTL1 (0.53) PTGS1L3MBTL1ALDH1A1TDP1HSD17B10
SCHEMBL10991002 0.86 L3MBTL1 (0.53) PTGS1L3MBTL1ALDH1A1TDP1HSD17B10
SCHEMBL11369130 0.85 SLC22A6 (0.46) PTGS1L3MBTL1ALDH1A1TDP1HSD17B10
SCHEMBL11367828 0.85 PTGS1 (0.63) PTGS1L3MBTL1ALDH1A1TDP1HSD17B10

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-0075928-A2 3-Carbamoyloxymethylcephem derivatives, processes for the preparation thereof, and antibacterial drugs containg same Eisai Co., Ltd. (JP) 1983-04-06 — — EP claimed
US-4448775-A 3-Carbamoyloxymethylcephem derivatives, and antibacterial drugs containing same EISAI CO., LTD. (JP) 1984-05-15 — — US disclosed
EP-0075928-A2 3-Carbamoyloxymethylcephem derivatives, processes for the preparation thereof, and antibacterial drugs containg same Eisai Co., Ltd. (JP) 1983-04-06 — — EP disclosed
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