SCHEMBL11215786

SCHEMBL11215786

CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)C(NC(=O)OC(C)(C)C)c3ccccc3)[C@@H]2SC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.71
▸ L3MBTL1 Q9Y468 4/20 0.65
▸ TDP1 Q9NUW8 6/20 0.63
▸ CTDSP1 Q9GZU7 3/20 0.62
▸ MAPT P10636 7/20 0.57
▸ NR1I2 O75469 3/20 0.57
▸ HPGD P15428 2/20 0.57
▸ DNMT1 P26358 2/20 0.57
▸ SLC22A6 Q4U2R8 1/20 0.57
▸ SLC22A8 Q8TCC7 1/20 0.57
▸ SLC22A11 Q9NSA0 1/20 0.57
▸ ESR1 P03372 1/20 0.55
▸ PGR P06401 1/20 0.55
▸ PTGS2 P35354 1/20 0.55
▸ KDR P35968 1/20 0.55
▸ MAPK1 P28482 2/20 0.54
▸ POLB P06746 3/20 0.52
▸ ALDH1A1 P00352 4/20 0.51
▸ HSD17B10 Q99714 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49

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
SCHEMBL10811905 1.00 PTGS1 (0.71) PTGS1L3MBTL1TDP1CTDSP1MAPT
SCHEMBL11061430 1.00 PTGS1 (0.71) PTGS1L3MBTL1TDP1CTDSP1MAPT
SCHEMBL11444166 1.00 PTGS1 (0.71) PTGS1L3MBTL1TDP1CTDSP1MAPT
SCHEMBL10811911 1.00 PTGS1 (0.71) PTGS1L3MBTL1TDP1CTDSP1MAPT
SCHEMBL11519106 1.00 PTGS1 (0.71) PTGS1L3MBTL1TDP1CTDSP1MAPT
SCHEMBL11841581 1.00 PTGS1 (0.71) PTGS1L3MBTL1TDP1CTDSP1MAPT
SCHEMBL32670889 0.94 CTDSP1 (0.70) PTGS1L3MBTL1TDP1CTDSP1MAPT
SCHEMBL11423431 0.94 PTGS1 (0.63) PTGS1L3MBTL1TDP1CTDSP1MAPT
SCHEMBL11225982 0.94 PTGS1 (0.63) PTGS1L3MBTL1TDP1CTDSP1MAPT
SCHEMBL11423429 0.94 PTGS1 (0.63) PTGS1L3MBTL1TDP1CTDSP1MAPT

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-4329454-A Cephalosporin compounds ELI LILLY AND COMPANY (US) 1982-05-11 — — US disclosed
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