SCHEMBL22014784

SCHEMBL22014784

CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccco3)[C@H]2SC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 8/20 0.74
▸ MAPT P10636 6/20 0.69
▸ NR1I2 O75469 4/20 0.67
▸ CTDSP1 Q9GZU7 3/20 0.67
▸ DNMT1 P26358 2/20 0.67
▸ HPGD P15428 2/20 0.67
▸ SLC22A6 Q4U2R8 1/20 0.67
▸ SLC22A8 Q8TCC7 1/20 0.67
▸ SLC22A11 Q9NSA0 1/20 0.67
▸ L3MBTL1 Q9Y468 4/20 0.66
▸ ALDH1A1 P00352 4/20 0.65
▸ HSD17B10 Q99714 3/20 0.65
▸ PGR P06401 2/20 0.65
▸ TSHR P16473 2/20 0.65
▸ POLB P06746 3/20 0.64
▸ PTGS1 P23219 1/20 0.64
▸ SPOP O43791 2/20 0.64
▸ MEN1 O00255 2/20 0.63
▸ KMT2A Q03164 2/20 0.63
▸ RECQL P46063 1/20 0.62

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
SCHEMBL11052047 0.90 TDP1 (0.76) TDP1MAPTNR1I2CTDSP1DNMT1
SCHEMBL10916200 0.88 TDP1 (0.67) TDP1MAPTNR1I2CTDSP1DNMT1
SCHEMBL11468458 0.88 TDP1 (0.74) TDP1MAPTNR1I2CTDSP1DNMT1
SCHEMBL10916202 0.88 TDP1 (0.67) TDP1MAPTNR1I2CTDSP1DNMT1
SCHEMBL11612739 0.88 TDP1 (0.74) TDP1MAPTNR1I2CTDSP1DNMT1
SCHEMBL11056073 0.87 TDP1 (0.65) TDP1MAPTNR1I2CTDSP1DNMT1
Cefuracetime SCHEMBL615048 0.87 TDP1 (0.87) TDP1MAPTNR1I2CTDSP1DNMT1
Cefuracetime SCHEMBL11611927 0.87 TDP1 (0.87) TDP1MAPTNR1I2CTDSP1DNMT1
Cefuracetime SCHEMBL615047 0.87 TDP1 (0.87) TDP1MAPTNR1I2CTDSP1DNMT1
SCHEMBL11673377 0.86 TDP1 (0.75) TDP1MAPTNR1I2CTDSP1DNMT1

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
WO-2020099858-A1 CEPHALOSPORIN CIPROFLOXACIN HYBRID COMPOUNDS IMPERIAL COLLEGE OF SCIENCE, TECHNOLOGY AND MEDICINE (GB) 2020-05-22 — — WO disclosed
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