SCHEMBL11215612

SCHEMBL11215612

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

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.82
▸ L3MBTL1 Q9Y468 3/20 0.75
▸ TDP1 Q9NUW8 4/20 0.72
▸ MAPT P10636 5/20 0.65
▸ NR1I2 O75469 4/20 0.65
▸ SLC22A6 Q4U2R8 2/20 0.65
▸ SLC22A8 Q8TCC7 2/20 0.65
▸ SLC22A11 Q9NSA0 2/20 0.65
▸ CTDSP1 Q9GZU7 2/20 0.65
▸ HPGD P15428 2/20 0.65
▸ DNMT1 P26358 1/20 0.65
▸ PGR P06401 2/20 0.62
▸ PPARG P37231 1/20 0.62
▸ ESR1 P03372 1/20 0.62
▸ PTGS2 P35354 1/20 0.62
▸ KDR P35968 1/20 0.62
▸ MAPK1 P28482 2/20 0.61
▸ POLB P06746 1/20 0.59
▸ HSD17B10 Q99714 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57

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
SCHEMBL8883027 1.00 PTGS1 (0.82) PTGS1L3MBTL1TDP1MAPTNR1I2
SCHEMBL11502479 0.94 PTGS1 (0.72) PTGS1L3MBTL1TDP1MAPTNR1I2
SCHEMBL11531027 0.93 PTGS1 (0.71) PTGS1L3MBTL1TDP1MAPTNR1I2
SCHEMBL11526183 0.93 PTGS1 (0.71) PTGS1L3MBTL1TDP1MAPTNR1I2
SCHEMBL11268847 0.92 PTGS1 (0.70) PTGS1L3MBTL1TDP1MAPTNR1I2
SCHEMBL11444104 0.92 PTGS1 (0.70) PTGS1L3MBTL1TDP1MAPTNR1I2
SCHEMBL11532135 0.92 PTGS1 (0.70) PTGS1L3MBTL1TDP1MAPTNR1I2
SCHEMBL11530642 0.92 PTGS1 (0.72) PTGS1L3MBTL1TDP1MAPTNR1I2
SCHEMBL11876876 0.91 PTGS1 (0.74) PTGS1L3MBTL1TDP1MAPTNR1I2
SCHEMBL11690164 0.91 PTGS1 (0.69) PTGS1L3MBTL1TDP1MAPTNR1I2

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-4329454-A Cephalosporin compounds ELI LILLY AND COMPANY (US) 1982-05-11 — — US disclosed
US-4183925-A 7-Aminophenylacetamido-Δ3 -cephem antibacterial agents and method of use PFIZER INC. (US) 1980-01-15 — — US disclosed
US-4144240-A USED FOR MODIFYING CEPHALOSPORINS PFIZER INC. (US) 1979-03-13 — — US disclosed
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