SCHEMBL8435157

SCHEMBL8435157

COc1ccc(CS[C@H]2C[C@@H](C(=O)N3CCC(NC(=O)OCc4ccc([N+](=O)[O-])cc4)C3)N(C(=O)OCc3ccc([N+](=O)[O-])cc3)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
PKM P14618 2/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 3/20 0.41
HSD11B1 P28845 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GRIN2B Q13224 1/20 0.38
MAPT P10636 1/20 0.38
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
NPFFR1 Q9GZQ6 1/20 0.36
NPFFR2 Q9Y5X5 1/20 0.36
KCNJ1 P48048 1/20 0.35
KCNH2 Q12809 1/20 0.35
EPHX1 P07099 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35

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
SCHEMBL8436042 1.00 SMN1; SMN2 (0.45) SMN1; SMN2PKMHTTALDH1A1HSD11B1
SCHEMBL9574236 0.95 SMN1; SMN2 (0.41) SMN1; SMN2PKMHTTALDH1A1GAA
SCHEMBL8578872 0.95 SMN1; SMN2 (0.41) SMN1; SMN2PKMHTTALDH1A1GAA
SCHEMBL7458108 0.92 ALDH1A1 (0.42) ALDH1A1GAAMAPK1L3MBTL1GRIN2B
SCHEMBL8436455 0.92 GAA (0.40) SMN1; SMN2PKMHTTALDH1A1GAA
SCHEMBL7458116 0.92 ALDH1A1 (0.42) ALDH1A1GAAMAPK1L3MBTL1GRIN2B
SCHEMBL8094981 0.91 ALDH1A1 (0.40) SMN1; SMN2PKMHTTALDH1A1GAA
SCHEMBL8536471 0.90 ALDH1A1 (0.40) SMN1; SMN2PKMHTTALDH1A1GAA
SCHEMBL7463311 0.90 ALDH1A1 (0.38) SMN1; SMN2PKMHTTALDH1A1HSD11B1
SCHEMBL8438094 0.90 ALDH1A1 (0.44) SMN1; SMN2PKMHTTALDH1A1GAA

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-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 US disclosed
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US disclosed