SCHEMBL8104450

SCHEMBL8104450

COc1ccc(CS[C@H]2C[C@@H](CC(=O)N3CC[C@H](NC(=O)OCc4ccc([N+](=O)[O-])cc4)C3)N(C(=O)OCc3ccc([N+](=O)[O-])cc3)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
PKM P14618 2/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.38
HSD11B1 P28845 1/20 0.38
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GRIN2B Q13224 1/20 0.37
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSK P43235 1/20 0.35
KCNJ1 P48048 1/20 0.34
KCNH2 Q12809 1/20 0.34
EPHX2 P34913 1/20 0.34
EPHX1 P07099 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
SCHEMBL8435157 0.89 SMN1; SMN2 (0.45) SMN1; SMN2PKMHTTALDH1A1MAPT
SCHEMBL8436042 0.89 SMN1; SMN2 (0.45) SMN1; SMN2PKMHTTALDH1A1MAPT
SCHEMBL8104565 0.88 SMN1; SMN2 (0.41) SMN1; SMN2PKMHTTALDH1A1MAPT
SCHEMBL8535538 0.88 SMN1; SMN2 (0.41) SMN1; SMN2PKMHTTALDH1A1MAPT
SCHEMBL8578872 0.85 SMN1; SMN2 (0.41) SMN1; SMN2PKMHTTALDH1A1MAPT
SCHEMBL9574236 0.85 SMN1; SMN2 (0.41) SMN1; SMN2PKMHTTALDH1A1MAPT
SCHEMBL8438094 0.85 ALDH1A1 (0.44) SMN1; SMN2PKMHTTALDH1A1MAPT
SCHEMBL8438096 0.85 ALDH1A1 (0.44) SMN1; SMN2PKMHTTALDH1A1MAPT
SCHEMBL8104600 0.83 HSD11B1 (0.44) SMN1; SMN2PKMHTTALDH1A1HSD11B1
SCHEMBL8110549 0.83 GAA (0.43) SMN1; SMN2HTTALDH1A1MAPTGAA

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