SCHEMBL9689376

SCHEMBL9689376

CCN(CC)C(=O)C(O)C(O)C(=O)N(CC)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP8 P22894 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
DPP4 P27487 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 0.34
HTT P42858 4/20 0.34
GAA P10253 1/20 0.34
HTR1A P08908 2/20 0.33
ABCB11 O95342 2/20 0.33
GSDMD P57764 2/20 0.33
HSP90AA1 P07900 2/20 0.33
EHMT2 Q96KQ7 2/20 0.33

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
SCHEMBL23467149 0.87 DPP4 (0.37) LMNAMMP1MMP2MMP3MMP8
SCHEMBL17652005 0.80 LMNA (0.40) LMNAMMP1MMP2MMP3MMP8
SCHEMBL1964784 0.80 LMNA (0.40) LMNAMMP1MMP2MMP3MMP8
SCHEMBL1615608 0.80 LMNA (0.40) LMNAMMP1MMP2MMP3MMP8
SCHEMBL20495355 0.78 LMNA (0.39) LMNAMMP1MMP2MMP3MMP8
SCHEMBL6949926 0.78 LMNA (0.39) LMNAMMP1MMP2MMP3MMP8
SCHEMBL3200366 0.77 LMNA (0.42) LMNAMMP1MMP2MMP3MMP8
SCHEMBL31145674 0.76 OR51E2 (0.42) LMNAMMP1MMP2MMP3MMP8
SCHEMBL18098236 0.74 LMNA (0.40) LMNAMMP1MMP2MMP3MMP8
SCHEMBL14361944 0.74 LMNA (0.40) LMNAMMP1MMP2MMP3MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5173112-A Nonplugging, improved storage stability E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-12-22 US disclosed