SCHEMBL7805553

SCHEMBL7805553

COc1ccc(COC(=O)N2C[C@H](O)C[C@H]2CN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 2/20 0.43
GAA P10253 2/20 0.43
P2RX4 Q99571 1/20 0.42
ALDH1A1 P00352 2/20 0.41
RPS6KA2 Q15349 1/20 0.41
HSD17B10 Q99714 2/20 0.41
APEX1 P27695 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
APAF1 O14727 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40

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
SCHEMBL8572110 0.90 POLB (0.49) NPC1POLB
SCHEMBL7805526 0.87 CASP3 (0.41) CASP3NPC1POLBGAAP2RX4
SCHEMBL7809186 0.86 CASP3 (0.40) CASP3NPC1POLBGAAP2RX4
SCHEMBL7806847 0.83 POLB (0.38) CASP3NPC1POLBGAAP2RX4
SCHEMBL7800328 0.82 POLB (0.44) POLBP2RX4ALDH1A1
SCHEMBL29764612 0.82 POLB (0.42) NPC1POLBALDH1A1HSD17B10MEN1
SCHEMBL7809198 0.81 POLB (0.44) POLBP2RX4ALDH1A1
SCHEMBL8572979 0.78 CYP1A2 (0.43) POLBMEN1KMT2A
SCHEMBL3947235 0.78 CYP1A2 (0.43) POLBMEN1KMT2A
SCHEMBL4081339 0.76 ABCB1 (0.41) POLB

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
EP-0528678-B1 A pyrrolidylthiocarbapenem derivative with antibacterial activity SHIONOGI & CO (JP) 2001-05-23 EP disclosed
US-5703243-A Intermediates for pyrrolidylthiocarbapenem derivative SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1997-12-30 US disclosed
US-5317016-A Pyrrolidylthiocarbapenem derivative SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1994-05-31 US disclosed
EP-0528678-A1 A pyrrolidylthiocarbapenem derivative SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1993-02-24 EP disclosed