SCHEMBL14192067

SCHEMBL14192067

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
BLM P54132 2/20 0.50
ALOX15 P16050 1/20 0.50
PMP22 Q01453 1/20 0.50
TDP1 Q9NUW8 2/20 0.47
LDHA P00338 2/20 0.38
LDHB P07195 1/20 0.38
ALDH1A1 P00352 1/20 0.36
OR51E2 Q9H255 1/20 0.36
CRBN Q96SW2 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ACHE P22303 1/20 0.33
TSHR P16473 1/20 0.33
THPO P40225 1/20 0.33
FFAR3 O14843 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
TAS2R38 P59533 1/20 0.32
CA1 P00915 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
SCHEMBL12588748 0.92 LMNA (0.50) LMNABLMALOX15PMP22TDP1
SCHEMBL9033319 0.83 LDHA (0.47) LMNABLMALOX15PMP22TDP1
SCHEMBL20438772 0.72 LMNA (0.44) LMNABLMALOX15PMP22TDP1
SCHEMBL308271 0.70
Acetone SCHEMBL28817517 0.70 LMNA (0.64) LMNABLMALOX15PMP22TDP1
SCHEMBL27455685 0.70
SCHEMBL598557 0.70
SCHEMBL24869628 0.69
SCHEMBL15605 0.69
Acetamide SCHEMBL20411647 0.69

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
EP-1687349-B1 POLYAMINE POLYMERS ILYPSA INC (US) 2008-06-18 EP disclosed