SCHEMBL8107640

SCHEMBL8107640

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.40
CTSL P07711 6/20 0.37
PTPN1 P18031 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
HTR2A P28223 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 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
SCHEMBL8106793 0.87 TGM2 (0.43) TGM2CTSLPTPN1DPP8DPP9
SCHEMBL8113869 0.87 GAA (0.37) TGM2CTSLPTPN1HTR2AALDH1A1
SCHEMBL8112112 0.86 CTSL (0.39) TGM2CTSLDPP8DPP9HTR2A
SCHEMBL8098394 0.86 CTSL (0.39) TGM2CTSLDPP8DPP9HTR2A
SCHEMBL9139915 0.86 DPP8 (0.39) TGM2CTSLDPP8DPP9HTR2A
SCHEMBL8107635 0.84 TGM2 (0.40) TGM2CTSLPTPN1DPP8DPP9
SCHEMBL9795060 0.82 ECE1 (0.37) HTR2AATMALDH1A1MAPTHPGD
SCHEMBL10860914 0.81 ATM (0.36) DPP8DPP9HTR2AATMALDH1A1
Methylamine SCHEMBL8106673 0.80 HTR2A (0.38) DPP8DPP9HTR2AATMALDH1A1
SCHEMBL10367961 0.80 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 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