SCHEMBL9596093

SCHEMBL9596093

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.47
DPP9 Q86TI2 1/20 0.47
TGM2 P21980 1/20 0.38
NR1H4 Q96RI1 4/20 0.35
TDP1 Q9NUW8 1/20 0.35
RAB9A P51151 2/20 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
NPC1 O15118 1/20 0.34
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 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
SCHEMBL8106414 0.92 DPP8 (0.44) DPP8DPP9TGM2TDP1RAB9A
SCHEMBL8113765 0.86 DPP8 (0.44) DPP8DPP9TGM2NR1H4TDP1
SCHEMBL10699439 0.84 TDP1 (0.39) DPP8DPP9TDP1RAB9AATM
SCHEMBL8113886 0.83 DPP8 (0.44) DPP8DPP9TGM2TDP1RAB9A
SCHEMBL9596089 0.82 DPP8 (0.39) DPP8DPP9TGM2TDP1ALDH1A1
SCHEMBL8109280 0.80 DPP8 (0.40) DPP8DPP9TGM2RAB9AALDH1A1
SCHEMBL8113791 0.80 DPP8 (0.41) DPP8DPP9TGM2TDP1ALDH1A1
SCHEMBL10858260 0.80 DPP8 (0.41) DPP8DPP9TDP1RAB9AATM
SCHEMBL8584249 0.79 DPP8 (0.43) DPP8DPP9TGM2TDP1ATM
SCHEMBL7862666 0.79 DPP8 (0.43) DPP8DPP9TGM2TDP1ATM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993011128-A1 AMINOALKYLPYRROLIDINYLTHIOCARBAPENEM DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-10 WO disclosed