SCHEMBL2677121

SCHEMBL2677121

CCCC(=CCC(=O)O)CP(=O)(O)ON

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL1594875 0.82 MEN1 (0.41) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL1594878 0.82 MEN1 (0.41) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL5506993 0.75 FFAR3 (0.50) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL3457874 0.69
Water SCHEMBL10936092 0.67 TSHR (0.48)
SCHEMBL10441400 0.67 LMNA (0.44)
SCHEMBL2978617 0.65 FNTA (0.34) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL7353177 0.63 AKR1B1 (0.56)
SCHEMBL6026399 0.62 FFAR3 (0.47) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL367757 0.62 GRM8 (0.42)

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
US-8173813-B2 selectively inhibit neuronal nitric oxide synthase in combination with other pharmaceutically active agents; antidepressants NEURAXON, INC. (CA) 2012-05-08 US disclosed