SCHEMBL8107869

SCHEMBL8107869

CC(C)(CNC(=O)OCc1ccc([N+](=O)[O-])cc1)C[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.44
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.36
MCL1 Q07820 8/20 0.35
BCL2 P10415 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 1/20 0.33
BCL2L1 Q07817 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
SCHEMBL9595803 1.00 ABCB1 (0.44) ABCB1DPP8DPP9ALDH1A1MAPT
SCHEMBL9142600 0.89 ABCB1 (0.48) ABCB1DPP8DPP9ALDH1A1MAPT
SCHEMBL7859579 0.85 ABCB1 (0.42) ABCB1DPP8DPP9ALDH1A1MAPT
SCHEMBL9596796 0.85 ABCB1 (0.42) ABCB1DPP8DPP9ALDH1A1MAPT
SCHEMBL8107606 0.85 ABCB1 (0.42) ABCB1DPP8DPP9ALDH1A1MAPT
SCHEMBL8113850 0.81 ABCB1 (0.36) ABCB1ALDH1A1
SCHEMBL8098250 0.81 DPP8 (0.38) ABCB1DPP8DPP9ALDH1A1MAPT
SCHEMBL8107543 0.81 ABCB1 (0.40) ABCB1DPP8DPP9ALDH1A1MAPT
SCHEMBL10390670 0.81 GAA (0.45) ABCB1DPP8DPP9ALDH1A1MAPT
SCHEMBL10390672 0.81 GAA (0.45) ABCB1DPP8DPP9ALDH1A1MAPT

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 3 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
EP-0545290-A1 Aminoalkylpyrrolidinylthiocarbapenem derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-09 EP disclosed