SCHEMBL1759149

SCHEMBL1759149

NC(=O)CCCCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.59
GRIN3B O60391 4/20 0.59
GRIN1 Q05586 4/20 0.59
GRIN2A Q12879 4/20 0.59
GRIN2B Q13224 4/20 0.59
GRIN2C Q14957 4/20 0.59
GRIN3A Q8TCU5 4/20 0.59
ALDH1A1 P00352 3/20 0.50
TSHR P16473 1/20 0.50
EPHX2 P34913 5/20 0.49
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CCR6 P51684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GRM2 Q14416 1/20 0.41
GRM3 Q14832 1/20 0.41

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
SCHEMBL2093410 0.94 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL660423 0.88 ALDH1A1 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6864625 0.84 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1758579 0.84 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9242092 0.82 EPHX2 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10757410 0.82 EPHX2 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10760637 0.82 EPHX2 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6046118 0.82 EPHX2 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10756954 0.82 EPHX2 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1759148 0.82 GRIN2D (0.57) 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
WO-2011058582-A1 HISTONE DEACETYLASE INHIBITORS FOR THE TREATMENT OF FUNGAL INFECTIONS ORCHID RESEARCH LABORATORIES LTD. (IN) 2011-05-19 WO disclosed