SCHEMBL8095116

SCHEMBL8095116

O=C(NCC1CCN(C(=O)CC(O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
TPSAB1 Q15661 5/20 0.40
TPSD1 Q9BZJ3 5/20 0.40
TPSG1 Q9NRR2 5/20 0.40
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
FAAH O00519 1/20 0.37
ACHE P22303 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.35
GRIN2B Q13224 5/20 0.34
F13A1 P00488 1/20 0.34
TGM2 P21980 1/20 0.34
TGM1 P22735 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
SCHEMBL8095088 0.96 DPP8 (0.41) DPP8DPP9TPSAB1TPSD1TPSG1
SCHEMBL8095084 0.96 DPP8 (0.41) DPP8DPP9TPSAB1TPSD1TPSG1
SCHEMBL8104461 0.87 KMT2A (0.45) DPP8DPP9SMN1; SMN2ALDH1A1LMNA
SCHEMBL8102746 0.87 KMT2A (0.45) DPP8DPP9SMN1; SMN2ALDH1A1LMNA
SCHEMBL8588975 0.87 KMT2A (0.45) DPP8DPP9SMN1; SMN2ALDH1A1LMNA
SCHEMBL8102735 0.87 KMT2A (0.45) DPP8DPP9SMN1; SMN2ALDH1A1LMNA
SCHEMBL8104555 0.87 HSD11B1 (0.44) DPP8DPP9SMN1; SMN2ALDH1A1LMNA
SCHEMBL8095391 0.87 HSD11B1 (0.44) DPP8DPP9SMN1; SMN2ALDH1A1LMNA
SCHEMBL8104700 0.87 HSD11B1 (0.44) DPP8DPP9SMN1; SMN2ALDH1A1LMNA
SCHEMBL8102742 0.87 HSD11B1 (0.44) DPP8DPP9SMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6090802-A BACTERICIDE SANKYO COMPANY, LIMITED (JP) 2000-07-18 US disclosed
EP-0882728-A1 1-METHYLCARBAPENEM DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-09 EP disclosed