SCHEMBL7709783

SCHEMBL7709783

C=C(/C=C\C)NC(=O)CC

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 3/20 0.32
UBE2N P61088 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP2C9 P11712 1/20 0.30

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
SCHEMBL24720537 0.83 HDAC3 (0.41) MEN1KMT2AALDH1A1NPSR1
SCHEMBL14493174 0.80 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL25631860 0.78 OXER1 (0.44) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL19145814 0.77
SCHEMBL21562896 0.76
SCHEMBL22005181 0.75
SCHEMBL23176896 0.75
SCHEMBL22736477 0.75
SCHEMBL18551018 0.75
SCHEMBL13727770 0.74 SMN1; SMN2 (0.30) SMN1; SMN2

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-2011130628-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS CURIS, INC. (US) 2011-10-20 WO disclosed