SCHEMBL11271705

SCHEMBL11271705

CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3csc(NC(=O)OC[C@@H](N)C(=O)O)n3)[C@H]2SC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.57
▸ MAPT P10636 9/20 0.56
▸ NR1I2 O75469 4/20 0.56
▸ SLC22A6 Q4U2R8 2/20 0.56
▸ SLC22A8 Q8TCC7 2/20 0.56
▸ SLC22A11 Q9NSA0 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ CTDSP1 Q9GZU7 2/20 0.56
▸ DNMT1 P26358 1/20 0.56
▸ PTGS1 P23219 1/20 0.54
▸ ESR1 P03372 1/20 0.54
▸ PGR P06401 1/20 0.54
▸ PTGS2 P35354 1/20 0.54
▸ KDR P35968 1/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ BLM P54132 3/20 0.54
▸ ALB P02768 1/20 0.52
▸ PPARG P37231 1/20 0.52
▸ POLB P06746 2/20 0.51

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
SCHEMBL11271716 1.00 TDP1 (0.57) TDP1MAPTNR1I2SLC22A6SLC22A8
Water SCHEMBL11260617 0.93 TDP1 (0.62) TDP1MAPTNR1I2SLC22A6SLC22A8
Water SCHEMBL11260612 0.93 TDP1 (0.62) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL11273492 0.87 PTGS1 (0.57) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL11273489 0.87 PTGS1 (0.57) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL11263166 0.85 PTGS1 (0.54) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL11263159 0.85 PTGS1 (0.54) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL11364574 0.84 TDP1 (0.61) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL11364577 0.84 TDP1 (0.61) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL11259502 0.84 NR1I2 (0.73) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4313945-A 7-Thiazolyl-acetamido-cephem derivatives with terminal aminocarboxylic acid grouping CIBA-GEIGY CORPORATION (US) 1982-02-02 — — US claimed
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