SCHEMBL10413074

SCHEMBL10413074

O=C(CCl)CC(=O)NC1C(=O)N2C(C(=O)O)=C(COCC(O)c3ccccc3)CS[C@@H]12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.60
▸ TDP1 Q9NUW8 5/20 0.57
▸ PTGS1 P23219 1/20 0.56
▸ MAPT P10636 6/20 0.52
▸ NR1I2 O75469 5/20 0.52
▸ HPGD P15428 3/20 0.52
▸ CTDSP1 Q9GZU7 3/20 0.52
▸ SLC22A6 Q4U2R8 2/20 0.52
▸ SLC22A8 Q8TCC7 2/20 0.52
▸ SLC22A11 Q9NSA0 2/20 0.52
▸ DNMT1 P26358 1/20 0.52
▸ PGR P06401 2/20 0.49
▸ ESR1 P03372 1/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ KDR P35968 1/20 0.49
▸ KDM4E B2RXH2 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47

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
SCHEMBL10413538 0.92 L3MBTL1 (0.57) L3MBTL1TDP1PTGS1MAPTNR1I2
SCHEMBL10413073 0.87 L3MBTL1 (0.65) L3MBTL1TDP1PTGS1MAPTNR1I2
SCHEMBL11220098 0.86 PTGS1 (0.62) L3MBTL1TDP1PTGS1MAPTNR1I2
SCHEMBL11226154 0.85 TDP1 (0.71) L3MBTL1TDP1PTGS1MAPTNR1I2
SCHEMBL10414904 0.85 PTGS1 (0.51) L3MBTL1TDP1PTGS1MAPTNR1I2
SCHEMBL11416752 0.82 L3MBTL1 (0.53) L3MBTL1TDP1PTGS1MAPTNR1I2
SCHEMBL11222454 0.82 L3MBTL1 (0.53) L3MBTL1TDP1PTGS1MAPTNR1I2
SCHEMBL10413540 0.80 NR1I2 (0.74) L3MBTL1TDP1PTGS1MAPTNR1I2
SCHEMBL10413541 0.80 NR1I2 (0.74) L3MBTL1TDP1PTGS1MAPTNR1I2
SCHEMBL11260139 0.80 NR1I2 (0.74) L3MBTL1TDP1PTGS1MAPTNR1I2

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-4963542-A Cephalosporin derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-10-16 — — US disclosed
US-4264595-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-04-28 — — US disclosed
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