SCHEMBL10997444

SCHEMBL10997444

CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(NC(=O)c3c(C)oc4c(OC(C)=O)c(OC(C)=O)ccc4c3=O)c3ccc(OCC(=O)O)cc3)[C@H]2SC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.50
▸ PTGS1 P23219 1/20 0.49
▸ MAPT P10636 9/20 0.48
▸ TDP1 Q9NUW8 6/20 0.48
▸ POLB P06746 5/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ RECQL P46063 1/20 0.44
▸ SPOP O43791 1/20 0.44
▸ NR1I2 O75469 3/20 0.43
▸ DNMT1 P26358 2/20 0.43
▸ CTDSP1 Q9GZU7 2/20 0.43
▸ SLC22A6 Q4U2R8 2/20 0.43
▸ SLC22A8 Q8TCC7 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SLC22A11 Q9NSA0 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ESR1 P03372 2/20 0.41
▸ PGR P06401 1/20 0.41

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
SCHEMBL10997449 1.00 L3MBTL1 (0.50) L3MBTL1PTGS1MAPTTDP1POLB
SCHEMBL10996641 0.90 L3MBTL1 (0.52) L3MBTL1PTGS1MAPTTDP1POLB
SCHEMBL10996624 0.90 L3MBTL1 (0.52) L3MBTL1PTGS1MAPTTDP1POLB
SCHEMBL10991465 0.90 L3MBTL1 (0.51) L3MBTL1PTGS1MAPTTDP1POLB
SCHEMBL10994208 0.90 L3MBTL1 (0.51) L3MBTL1PTGS1MAPTTDP1POLB
SCHEMBL10991462 0.90 L3MBTL1 (0.51) L3MBTL1PTGS1MAPTTDP1POLB
SCHEMBL10994204 0.90 L3MBTL1 (0.51) L3MBTL1PTGS1MAPTTDP1POLB
SCHEMBL10994467 0.87 TDP1 (0.46) L3MBTL1MAPTTDP1POLBALDH1A1
SCHEMBL10994465 0.87 TDP1 (0.46) L3MBTL1MAPTTDP1POLBALDH1A1
SCHEMBL10997196 0.86 L3MBTL1 (0.52) L3MBTL1PTGS1MAPTTDP1POLB

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-4546176-A 7-Carboxymethoxyphenylacetamido-3-cephem derivatives and antibacterial preparations containing the same EISAI CO., LTD. (JP) 1985-10-08 — — US disclosed
Send feedback