SCHEMBL11457233

SCHEMBL11457233

CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3csc(=N)[nH]3)[C@H]2SC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.68
▸ MAPT P10636 9/20 0.66
▸ NR1I2 O75469 4/20 0.66
▸ SLC22A6 Q4U2R8 2/20 0.66
▸ SLC22A8 Q8TCC7 2/20 0.66
▸ SLC22A11 Q9NSA0 2/20 0.66
▸ HPGD P15428 2/20 0.66
▸ CTDSP1 Q9GZU7 2/20 0.66
▸ DNMT1 P26358 1/20 0.66
▸ ESR1 P03372 1/20 0.64
▸ PGR P06401 1/20 0.64
▸ PTGS2 P35354 1/20 0.64
▸ KDR P35968 1/20 0.64
▸ L3MBTL1 Q9Y468 3/20 0.61
▸ PTGS1 P23219 1/20 0.57
▸ POLB P06746 3/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ ALB P02768 1/20 0.56
▸ PPARG P37231 1/20 0.56
▸ HSD17B10 Q99714 3/20 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
SCHEMBL11457232 1.00 TDP1 (0.68) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL11217715 0.93 TDP1 (0.58) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL11217610 0.93 TDP1 (0.58) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL11217710 0.93 TDP1 (0.58) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL11217615 0.93 TDP1 (0.58) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL10991893 0.91 TDP1 (0.70) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL10991889 0.91 TDP1 (0.70) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL11189704 0.90 TDP1 (0.68) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL11189706 0.90 TDP1 (0.68) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL11222186 0.87 CA5A (0.55) 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
US-4241057-A Antibiotic compositions TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-12-23 — — US disclosed
US-4161527-A 7-B-(2-(2-IMINO-4-THIAZOLIN-4-YL)ACETAMIDO)-3-(1-(2-(N,N -DIMETHYLAMINO)ETHYL)-1-H-TETRAZOL-5-UL)THIOMETHYL-3-CEPHEM-4-CARBOXYLIC ACID DIHYDROCHLORIDE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-07-17 — — US disclosed
US-4146710-A ANTIBIOTIC, STORAGE, STABILITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-03-27 — — US disclosed
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