SCHEMBL7800328

SCHEMBL7800328

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
P2RX4 Q99571 1/20 0.44
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
GRIN2B Q13224 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
SPHK2 Q9NRA0 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FABP7 O15540 1/20 0.39
FABP5 Q01469 1/20 0.39
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
MMP1 P03956 1/20 0.38

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
SCHEMBL7809198 0.89 POLB (0.44) POLBP2RX4ALDH1A1HPGDGRIN2B
SCHEMBL7806838 0.88 USP2 (0.46) POLBALDH1A1NPSR1PKMHTT
SCHEMBL20756599 0.88 POLB (0.48) POLBP2RX4HPGDGRIN2BNPSR1
SCHEMBL8697857 0.85 POLB (0.55) POLBP2RX4ALDH1A1NPSR1SMN1; SMN2
SCHEMBL3578965 0.85 POLB (0.55) POLBP2RX4ALDH1A1NPSR1SMN1; SMN2
SCHEMBL14012812 0.85 POLB (0.55) POLBP2RX4ALDH1A1NPSR1SMN1; SMN2
SCHEMBL9586427 0.85 POLB (0.55) POLBP2RX4ALDH1A1NPSR1SMN1; SMN2
SCHEMBL12164616 0.85 POLB (0.55) POLBP2RX4ALDH1A1NPSR1SMN1; SMN2
SCHEMBL8660402 0.85 POLB (0.55) POLBP2RX4ALDH1A1NPSR1SMN1; SMN2
SCHEMBL7811567 0.84 PKM (0.39) P2RX4ALDH1A1HPGDGRIN2BNPSR1

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