SCHEMBL8107635

SCHEMBL8107635

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.40
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
CTSL P07711 6/20 0.36
PTPN1 P18031 1/20 0.33
HTR2A P28223 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
ATM Q13315 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 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
SCHEMBL8106790 0.88 TGM2 (0.43) TGM2DPP8DPP9CTSLPTPN1
SCHEMBL8113864 0.87 GAA (0.38) TGM2DPP8DPP9CTSLHTR2A
SCHEMBL8107640 0.84 TGM2 (0.40) TGM2DPP8DPP9CTSLPTPN1
SCHEMBL9139915 0.82 DPP8 (0.39) TGM2DPP8DPP9CTSLHTR2A
SCHEMBL8106418 0.82 DPP8 (0.40) TGM2DPP8DPP9CTSLATM
SCHEMBL8107953 0.81 DPP8 (0.45) TGM2DPP8DPP9CTSLHTR2A
SCHEMBL8107539 0.80 TGM2 (0.37) TGM2DPP8DPP9CTSLALDH1A1
SCHEMBL8106387 0.79 DPP8 (0.43) TGM2DPP8DPP9CTSLHTR2A
SCHEMBL8583297 0.79 DPP8 (0.40) TGM2DPP8DPP9ATMALDH1A1
SCHEMBL7860707 0.79 DPP8 (0.40) TGM2DPP8DPP9ATMALDH1A1

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