SCHEMBL8106429

SCHEMBL8106429

CC(CNC(=O)OCc1ccc([N+](=O)[O-])c(O)c1)C[C@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
CTSL P07711 2/20 0.32
ALDH1A1 P00352 1/20 0.32
BMP1 P13497 1/20 0.32
MCL1 Q07820 4/20 0.32
BCL2 P10415 1/20 0.31
ABCB1 P08183 1/20 0.31
TGM2 P21980 1/20 0.31
GFER P55789 1/20 0.31
HTR2A P28223 1/20 0.31
CCR5 P51681 1/20 0.31

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
SCHEMBL9596048 0.83 DPP8 (0.40) DPP8DPP9CYP3A4MAPTCYP2C9
SCHEMBL9596622 0.81 DPP8 (0.40) DPP8DPP9MAPTCTSLALDH1A1
SCHEMBL7859861 0.79 PSEN1 (0.40) DPP8DPP9CYP3A4MAPTALDH1A1
SCHEMBL8957549 0.78 ABCB1 (0.33) DPP8DPP9MAPTCTSLALDH1A1
SCHEMBL9595372 0.78 DPP8 (0.42) DPP8DPP9CYP3A4MAPTCYP2C9
SCHEMBL9137731 0.78 HTT (0.39) MAPTALDH1A1HTR2A
SCHEMBL7859716 0.78 PSEN1 (0.39) DPP8DPP9CYP3A4MAPTCYP2C9
SCHEMBL9519366 0.78 DPP8 (0.42) DPP8DPP9CYP3A4MAPTCYP2C9
SCHEMBL8098250 0.78 DPP8 (0.38) DPP8DPP9MAPTALDH1A1ABCB1
SCHEMBL7805407 0.77 ALDH1A1 (0.41) MAPTALDH1A1HTR2ACCR5

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-0545290-B1 Aminoalkylpyrrolidinylthiocarbapenem derivatives BANYU PHARMA CO LTD (JP) 2000-08-23 EP disclosed
US-5550121-A ANTIBIOTICS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-08-27 US disclosed
WO-1993011128-A1 AMINOALKYLPYRROLIDINYLTHIOCARBAPENEM DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-10 WO disclosed
EP-0545290-A1 Aminoalkylpyrrolidinylthiocarbapenem derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-09 EP disclosed