SCHEMBL8106793

SCHEMBL8106793

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.43
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
CTSL P07711 5/20 0.36
PTPN1 P18031 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.35
HTR2A P28223 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL8107640 0.87 TGM2 (0.40) TGM2DPP8DPP9CTSLPTPN1
SCHEMBL8112372 0.84 TGM2 (0.41) TGM2DPP8DPP9CTSLTDP1
SCHEMBL8113869 0.83 GAA (0.37) TGM2CTSLPTPN1HTR2AALDH1A1
SCHEMBL8106790 0.83 TGM2 (0.43) TGM2DPP8DPP9CTSLPTPN1
SCHEMBL9596554 0.81 TGM2 (0.36) TGM2DPP8DPP9TDP1POLB
SCHEMBL8107543 0.80 ABCB1 (0.40) TGM2DPP8DPP9CTSLPTPN1
SCHEMBL10861535 0.78 TDP1 (0.44) TDP1POLBATMALDH1A1MAPT
SCHEMBL10390151 0.78 TDP1 (0.44) TDP1POLBATMALDH1A1MAPT
SCHEMBL9640929 0.78 TDP1 (0.44) TDP1POLBATMALDH1A1MAPT
SCHEMBL10390385 0.77 GAA (0.44) DPP8DPP9TDP1POLBATM

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