SCHEMBL8098394

SCHEMBL8098394

CC(=O)S[C@H]1C[C@H](CC(C)NC(=O)OCc2ccc([N+](=O)[O-])cc2)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.39
TGM2 P21980 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
HTR2A P28223 1/20 0.37
ATM Q13315 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL8112112 1.00 CTSL (0.39) CTSLTGM2DPP8DPP9HTR2A
Methylamine SCHEMBL8106673 0.87 HTR2A (0.38) DPP8DPP9HTR2AATMALDH1A1
SCHEMBL8112372 0.87 TGM2 (0.41) CTSLTGM2DPP8DPP9HTR2A
SCHEMBL8107640 0.86 TGM2 (0.40) CTSLTGM2DPP8DPP9HTR2A
SCHEMBL8108029 0.84 ALDH1A1 (0.38) HTR2AATMALDH1A1MAPTHPGD
SCHEMBL10861401 0.84 ALDH1A1 (0.41) HTR2AATMALDH1A1MAPTHPGD
SCHEMBL9368309 0.84 ALDH1A1 (0.41) HTR2AATMALDH1A1MAPTHPGD
SCHEMBL8106398 0.84 DPP8 (0.39) CTSLTGM2DPP8DPP9HTR2A
SCHEMBL10390712 0.83 ALDH1A1 (0.37) DPP8DPP9ATMALDH1A1MAPT
SCHEMBL10367961 0.83 GAA (0.41) DPP8DPP9ATMALDH1A1MAPT

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