SCHEMBL6945782

SCHEMBL6945782

COc1ccc(COC(=O)N2CCN(C(=O)[C@@H]3C[C@H](SC(=O)c4ccccc4)CN3C(=O)OCc3ccc([N+](=O)[O-])cc3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 4/20 0.42
MMP1 P03956 3/20 0.42
MMP3 P08254 3/20 0.42
MMP7 P09237 2/20 0.42
MMP13 P45452 1/20 0.42
MMP2 P08253 1/20 0.41
MMP8 P22894 1/20 0.41
GAA P10253 1/20 0.40
ADAM17 P78536 1/20 0.40
ADAM9 Q13443 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MGLL Q99685 1/20 0.39
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39
KDM1A O60341 1/20 0.39
NPFFR1 Q9GZQ6 1/20 0.38
NPFFR2 Q9Y5X5 1/20 0.38

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
Dimethylamine SCHEMBL6944296 0.88 ATM (0.38) ALDH1A1
SCHEMBL6944029 0.87 ATM (0.40) ALDH1A1KCNJ1KCNH2
SCHEMBL6944292 0.87 CCR5 (0.38) ALDH1A1
SCHEMBL8988351 0.85 DPP8 (0.39)
SCHEMBL6949361 0.85 DPP8 (0.39) ALDH1A1
SCHEMBL6945381 0.84 ATM (0.45) KMT2AALDH1A1
SCHEMBL6946869 0.84 GAA (0.44) MMP9MMP1MMP3MMP7MMP13
SCHEMBL6945390 0.84 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1
SCHEMBL6945388 0.83 DPP8 (0.42) ALDH1A1
SCHEMBL6939196 0.82 PREP (0.44) SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641795-B9 CARBAPENEM DERIVATIVE DAIICHI SEIYAKU CO (JP) 2003-01-29 EP disclosed
EP-0641795-B1 CARBAPENEM DERIVATIVE DAIICHI SEIYAKU CO (JP) 2002-09-25 EP disclosed
US-5559224-A Carbepenem derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed