SCHEMBL8095089

SCHEMBL8095089

C=C(C(=O)N1CCC(NC(=O)OCc2ccc([N+](=O)[O-])cc2)C1)[C@H]1C[C@H](S)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.43
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
EPHX1 P07099 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EPHX2 P34913 1/20 0.35
TGM2 P21980 3/20 0.35
F13A1 P00488 2/20 0.35
TGM1 P22735 2/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DPP4 P27487 2/20 0.34
KCNH2 Q12809 2/20 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
SCHEMBL8095095 1.00 HSD11B1 (0.43) HSD11B1DPP8DPP9EPHX1CTSL
SCHEMBL8110317 1.00 HSD11B1 (0.43) HSD11B1DPP8DPP9EPHX1CTSL
SCHEMBL8110322 1.00 HSD11B1 (0.43) HSD11B1DPP8DPP9EPHX1CTSL
SCHEMBL28804781 0.90 HSD11B1 (0.45) HSD11B1DPP8DPP9EPHX1CTSL
SCHEMBL8436718 0.90 HSD11B1 (0.45) HSD11B1DPP8DPP9EPHX1CTSL
SCHEMBL28804784 0.90 HSD11B1 (0.45) HSD11B1DPP8DPP9EPHX1CTSL
SCHEMBL8441215 0.90 HSD11B1 (0.45) HSD11B1DPP8DPP9EPHX1CTSL
SCHEMBL22406792 0.90 HSD11B1 (0.45) HSD11B1DPP8DPP9EPHX1CTSL
SCHEMBL8436720 0.90 HSD11B1 (0.45) HSD11B1DPP8DPP9EPHX1CTSL
SCHEMBL8438142 0.85 HSD11B1 (0.41) HSD11B1DPP8DPP9EPHX1SIGMAR1

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