SCHEMBL7805587

SCHEMBL7805587

CNS(=O)(=O)N(C[C@@H]1C[C@H](SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1C(=O)OCc1ccc(OC)cc1)C(=O)OCc1ccc(OC)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.38
CHRM5 P08912 1/20 0.38
CHRM3 P20309 1/20 0.38
MMP1 P03956 2/20 0.37
MMP3 P08254 2/20 0.37
MMP7 P09237 2/20 0.37
MMP9 P14780 2/20 0.37
MMP13 P45452 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 1/20 0.36
MMP2 P08253 1/20 0.35
MMP8 P22894 1/20 0.35
HCRTR2 O43614 4/20 0.35
P2RX4 Q99571 1/20 0.34
CHRM2 P08172 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
KIF11 P52732 1/20 0.33
BCL9 O00512 1/20 0.33

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
SCHEMBL7800320 0.91 MMP1 (0.38) CHRM1CHRM5CHRM3MMP1MMP3
SCHEMBL7805589 0.85 CHRM1 (0.38) CHRM1CHRM5CHRM3MMP1MMP3
SCHEMBL7805486 0.83 P2RX4 (0.41) CHRM1CHRM5CHRM3MMP1MMP3
SCHEMBL7809176 0.82 HCRTR2 (0.41) CHRM1CHRM5CHRM3MMP1MMP3
SCHEMBL7805571 0.82 KIF11 (0.40) CHRM1CHRM5CHRM3MMP1MMP3
Acetic Acid SCHEMBL7809331 0.80 ALDH1A1 (0.39) CHRM1CHRM5CHRM3MMP1MMP3
SCHEMBL7805536 0.80 CA1 (0.43) MMP1MMP3MMP7MMP9MMP13
SCHEMBL7811618 0.78 ALDH1A1 (0.42) CHRM1CHRM5CHRM3MMP1MMP3
SCHEMBL7806847 0.78 POLB (0.38) MMP9ALDH1A1NPSR1TP53MMP2
SCHEMBL5409777 0.73 BDKRB2 (0.41) NPSR1POLBHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0528678-B1 A pyrrolidylthiocarbapenem derivative with antibacterial activity SHIONOGI & CO (JP) 2001-05-23 EP disclosed
US-5317016-A Pyrrolidylthiocarbapenem derivative SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1994-05-31 US disclosed