SCHEMBL1594875

SCHEMBL1594875

CCC/C(=C/CC(=O)O)CP(=O)(O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FFAR3 O14843 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
PGK1 P00558 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
SCHEMBL1594878 1.00 MEN1 (0.41) MEN1LMNAHPGDTSHRBLM
SCHEMBL10441401 0.85 LMNA (0.44) MEN1LMNAHPGDTSHRBLM
SCHEMBL10441400 0.85 LMNA (0.44) MEN1LMNAHPGDTSHRBLM
SCHEMBL5506993 0.82 FFAR3 (0.50) MEN1TSHRKMT2ATDP1FFAR3
SCHEMBL2677121 0.82 FFAR3 (0.32) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL10582804 0.72 GRIN2D (0.48) MEN1LMNAHPGDTSHRBLM
SCHEMBL10582808 0.72 GRIN2D (0.48) MEN1LMNAHPGDTSHRBLM
SCHEMBL2978617 0.71 FNTA (0.34) TSHRFFAR3HDAC3HDAC1HDAC2
SCHEMBL499892 0.70 GRIN2D (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL499893 0.70 GRIN2D (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-7919510-B2 treatment or prevention of chronic pain, acute pain, migraine, and neuropathic pain; selectively inhibits neuronal nitric oxide synthase (nNOS) over endothelial nitric oxide synthase (eNOS) and/or inducible nitric oxide synthase (iNOS) NEURAXON, INC (CA) 2011-04-05 US disclosed