SCHEMBL3225898

SCHEMBL3225898

[CH2]c1ccc(C2=CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.46
PTGS2 P35354 1/20 0.40
HDAC1 Q13547 6/20 0.39
HDAC2 Q92769 6/20 0.39
HDAC3 O15379 3/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PSMB5 P28074 3/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
TYMP P19971 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33

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
SCHEMBL10793933 0.88 ACMSD (0.53) ACMSDPTGS2HDAC1HDAC2HDAC3
SCHEMBL676296 0.81 ACMSD (0.42) ACMSDPTGS2HDAC1HDAC2HDAC3
SCHEMBL3233008 0.78 ACMSD (0.44) ACMSDPTGS2HDAC1HDAC2HDAC3
SCHEMBL3243443 0.77 CASP3 (0.47) ACMSDPTGS2HDAC1HDAC2HDAC3
SCHEMBL188943 0.77 MEN1 (0.55) ACMSDPTGS2HDAC1HDAC2HDAC3
SCHEMBL10991732 0.77 PSMB5 (0.47) ACMSDPTGS2HDAC1HDAC2HDAC3
SCHEMBL5406706 0.77 SIGMAR1 (0.48) ACMSDPTGS2HDAC1HDAC2HDAC3
SCHEMBL6345485 0.77 ACMSD (0.50) ACMSDPTGS2HDAC1HDAC2HDAC3
SCHEMBL11724005 0.77 ACMSD (0.46) ACMSDPTGS2HDAC1HDAC2HDAC3
SCHEMBL1773230 0.77 HTR2C (0.48) ACMSDPTGS2HDAC1HDAC2HDAC3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010019828-A1 GLUCAGON RECEPTOR ANTAGONISTS METABASIS THERAPEUTICS, INC. (US) 2010-02-18 WO claimed
WO-2010019828-A1 GLUCAGON RECEPTOR ANTAGONISTS METABASIS THERAPEUTICS, INC. (US) 2010-02-18 WO disclosed