SCHEMBL9728237

SCHEMBL9728237

COc1ccc(COC(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
VHL P40337 6/20 0.48
ALDH1A1 P00352 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TP53 P04637 1/20 0.47
MMP1 P03956 1/20 0.47
MMP3 P08254 1/20 0.47
MMP7 P09237 1/20 0.47
MMP9 P14780 1/20 0.47
MMP13 P45452 1/20 0.47
MAPT P10636 1/20 0.47
HDAC1 Q13547 1/20 0.47
NPC1 O15118 1/20 0.46
APP P05067 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL4388537 0.87 POLB (0.74) POLBALDH1A1NPSR1TP53MMP1
SCHEMBL9202926 0.86 POLB (0.46) POLBALDH1A1NPSR1TP53MMP1
SCHEMBL9202937 0.86 POLB (0.46) POLBALDH1A1NPSR1TP53MMP1
SCHEMBL9206681 0.86 POLB (0.46) POLBALDH1A1NPSR1TP53MMP1
SCHEMBL7806843 0.84 POLB (0.52) POLBALDH1A1NPSR1TP53MMP1
SCHEMBL7806845 0.84 POLB (0.52) POLBALDH1A1NPSR1TP53MMP1
SCHEMBL10390625 0.83 POLB (0.51) POLBALDH1A1NPSR1TP53MMP1
SCHEMBL7807916 0.83 POLB (0.51) POLBALDH1A1NPSR1TP53MMP1
SCHEMBL9640550 0.82 POLB (0.69) POLBVHLNPSR1NPC1MEN1
SCHEMBL7173956 0.82 POLB (0.69) POLBVHLNPSR1NPC1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5122604-A 2-(2-Carbonyl-substituted pyrrolidin-4-yl)carbapenems and -penems; microbiocides SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1992-06-16 US disclosed
US-4943569-A B-lactam compounds SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1990-07-24 US disclosed
US-4933333-A β-lactam compounds SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1990-06-12 US disclosed
EP-0126587-A1 Carboxylic thio-pyrrolidinyl beta-lactam compounds and production thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1984-11-28 EP disclosed