SCHEMBL13625288

SCHEMBL13625288

NCC(O)C1CCCCC1O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.54
KDM4E B2RXH2 2/20 0.52
GMNN O75496 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
EPHX1 P07099 1/20 0.36
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
F2 P00734 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL13494939 0.82 TP53 (0.45) TP53KDM4EGMNNLMNAMAPT
SCHEMBL1132729 0.78 CA1 (0.43) TP53KDM4EGMNNLMNAMAPT
SCHEMBL13494942 0.76 TP53 (0.39) TP53KDM4EGMNNLMNAMAPT
SCHEMBL12676495 0.73 CA1 (0.38) TP53CA1CA2CA4F2
SCHEMBL29002575 0.73 CA1 (0.33) TP53CA1CA2CA4F2
SCHEMBL12676494 0.73 CA1 (0.38) TP53CA1CA2CA4F2
SCHEMBL12676496 0.73 CA1 (0.38) TP53CA1CA2CA4F2
SCHEMBL28512595 0.73 TP53 (0.45) TP53KDM4EGMNNLMNAMAPT
SCHEMBL1133177 0.73 CA1 (0.36) TP53KDM4EGMNNLMNAMAPT
SCHEMBL11730674 0.73 CA1 (0.43) TP53CA1CA2CA4

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
WO-2009134303-A2 METHOD AND COMPOSITIONS FOR BIOFOULING DETERRENCE CLEMSON UNIVERSITY (US) 2009-11-05 WO disclosed