SCHEMBL15083299

SCHEMBL15083299

C=CCCC(=O)NC(C)C(=O)OCC#N

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
FAAH O00519 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.30
ZDHHC2 Q9UIJ5 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
SCHEMBL7078824 0.83 TAS1R3 (0.36)
SCHEMBL7078822 0.83 TAS1R3 (0.36)
SCHEMBL21838054 0.81 ALDH1A1 (0.32) ALDH1A1KMT2ALMNA
SCHEMBL21838055 0.81 ALDH1A1 (0.32) ALDH1A1KMT2ALMNA
SCHEMBL23157270 0.79
SCHEMBL21837917 0.79
SCHEMBL21837916 0.79
SCHEMBL21838043 0.79
SCHEMBL16288130 0.79 POLB (0.30) KMT2A
SCHEMBL15083223 0.79 POLB (0.30) KMT2A

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-2013100132-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD 中外製薬株式会社 (JP) 2013-07-04 WO disclosed