SCHEMBL11468458

SCHEMBL11468458

CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(=NO)c3ccco3)[C@@H]2SC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.74
▸ NR1I2 O75469 5/20 0.74
▸ HSD17B10 Q99714 3/20 0.74
▸ PGR P06401 2/20 0.74
▸ ALDH1A1 P00352 1/20 0.74
▸ TSHR P16473 1/20 0.74
▸ MAPT P10636 5/20 0.63
▸ CTDSP1 Q9GZU7 3/20 0.63
▸ POLB P06746 1/20 0.63
▸ PKM P14618 1/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ ABCC4 O15439 1/20 0.61
▸ PDE4A P27815 1/20 0.61
▸ SLC22A6 Q4U2R8 2/20 0.61
▸ SLC22A8 Q8TCC7 2/20 0.61
▸ SLC22A11 Q9NSA0 2/20 0.61
▸ HPGD P15428 1/20 0.61
▸ DNMT1 P26358 1/20 0.61
▸ PTGS1 P23219 1/20 0.59
▸ L3MBTL1 Q9Y468 3/20 0.58

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
SCHEMBL11612739 1.00 TDP1 (0.74) TDP1NR1I2HSD17B10PGRALDH1A1
Cefuracetime SCHEMBL615048 0.92 TDP1 (0.87) TDP1NR1I2HSD17B10PGRALDH1A1
SCHEMBL11472501 0.92 TDP1 (0.74) TDP1NR1I2HSD17B10PGRALDH1A1
Cefuracetime SCHEMBL11611927 0.92 TDP1 (0.87) TDP1NR1I2HSD17B10PGRALDH1A1
Cefuracetime SCHEMBL615047 0.92 TDP1 (0.87) TDP1NR1I2HSD17B10PGRALDH1A1
SCHEMBL10904704 0.92 TDP1 (0.84) TDP1NR1I2HSD17B10PGRALDH1A1
SCHEMBL11451853 0.92 TDP1 (0.84) TDP1NR1I2HSD17B10PGRALDH1A1
SCHEMBL11615495 0.91 TDP1 (0.74) TDP1NR1I2HSD17B10PGRALDH1A1
SCHEMBL11056073 0.90 TDP1 (0.65) TDP1NR1I2HSD17B10PGRALDH1A1
SCHEMBL11471273 0.90 CTDSP1 (0.69) TDP1NR1I2HSD17B10PGRALDH1A1

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-4209616-A BACTERICIDES HAVING ALPHA-HYDROXIMINO- OR ALPHA-ACYLOIMINOACYLAMIDO GROUPS GLAXO LABORATORIES LIMITED (GB) 1980-06-24 — — US claimed
US-4209616-A BACTERICIDES HAVING ALPHA-HYDROXIMINO- OR ALPHA-ACYLOIMINOACYLAMIDO GROUPS GLAXO LABORATORIES LIMITED (GB) 1980-06-24 — — US disclosed
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