SCHEMBL8107539

SCHEMBL8107539

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.37
ABCB1 P08183 1/20 0.37
MCL1 Q07820 9/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
CTSL P07711 4/20 0.34
BCL2 P10415 2/20 0.34
BCL2L1 Q07817 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SYK P43405 1/20 0.32

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
SCHEMBL8107543 0.85 ABCB1 (0.40) TGM2ABCB1MCL1DPP8DPP9
SCHEMBL8112463 0.83 ABCB1 (0.39) ABCB1MCL1DPP8DPP9CTSL
SCHEMBL8106790 0.81 TGM2 (0.43) TGM2DPP8DPP9CTSL
SCHEMBL8107635 0.80 TGM2 (0.40) TGM2DPP8DPP9CTSLALDH1A1
SCHEMBL9596796 0.79 ABCB1 (0.42) TGM2ABCB1MCL1DPP8DPP9
SCHEMBL8107606 0.79 ABCB1 (0.42) TGM2ABCB1MCL1DPP8DPP9
SCHEMBL8108227 0.79 DPP8 (0.38) TGM2ABCB1DPP8DPP9CTSL
SCHEMBL9142600 0.79 ABCB1 (0.48) TGM2ABCB1MCL1DPP8DPP9
SCHEMBL7804783 0.79 ALDH1A1 (0.38) ABCB1MCL1BCL2ALDH1A1MAPT
SCHEMBL9595803 0.78 ABCB1 (0.44) ABCB1MCL1DPP8DPP9BCL2

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