SCHEMBL22508530

SCHEMBL22508530

CCCC(CCCC(C)=O)CNC(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
FAAH O00519 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
CA2 P00918 2/20 0.33
ACHE P22303 1/20 0.31
PAOX Q6QHF9 1/20 0.31
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL8895596 0.81 ALDH1A1 (0.41) CA2ACHEPAOXCYP3A4TSHR
SCHEMBL23550067 0.79 TSHR (0.32) CYP3A4TSHRALDH1A1
SCHEMBL20838316 0.77 CA2 (0.52) MAPK1CA2ACHEPAOXCYP3A4
SCHEMBL30914727 0.72 FFAR4 (0.46) MEN1KMT2ACYP3A4TSHRATM
SCHEMBL1783660 0.71 ACE2 (0.44) ACHEPAOXCYP3A4TSHRTDP1
SCHEMBL14681977 0.71 ACE2 (0.44) ACHEPAOXCYP3A4TSHRTDP1
SCHEMBL12424311 0.71 CA2 (0.47) CA2ACHEPAOXCYP3A4TSHR
SCHEMBL24199120 0.71 ALDH1A1 (0.44) CYP3A4TSHRTDP1ALDH1A1
SCHEMBL15402211 0.71 FFAR4 (0.48) MEN1KMT2ATSHRTDP1ALDH1A1
SCHEMBL6677823 0.71 CA2 (0.48) CA2PAOXCYP3A4TSHRATM

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-3423481-B1 GLP-1 DERIVATIVES AND USES THEREOF NOVO NORDISK AS (DK) 2020-10-07 EP disclosed