SCHEMBL6876735

SCHEMBL6876735

O=C(O)CCCCC12CC3CCCC(C1)C(C3)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.35
ALOX5 P09917 1/20 0.35
GRIN2D O15399 2/20 0.34
GRIN3B O60391 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34
GRIN2B Q13224 2/20 0.34
GRIN2C Q14957 2/20 0.34
GRIN3A Q8TCU5 2/20 0.34
HSD11B1 P28845 2/20 0.33
HSD11B2 P80365 1/20 0.33
LMNA P02545 2/20 0.32
PTGS1 P23219 1/20 0.32
EPHX1 P07099 2/20 0.32
GPR84 Q9NQS5 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
PMP22 Q01453 1/20 0.31

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
SCHEMBL6881616 0.88 GRIN2D (0.38) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6877922 0.81 GRIN2D (0.37) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14161831 0.80 EPHX2 (0.41) EPHX2ALOX5EPHX1
SCHEMBL10820607 0.80 POLB (0.44) HSD11B1HSD11B2LMNATSHR
SCHEMBL6864625 0.79 GRIN2D (0.53) EPHX2ALOX5GRIN2DGRIN3BGRIN1
SCHEMBL1758579 0.79 GRIN2D (0.53) EPHX2ALOX5GRIN2DGRIN3BGRIN1
SCHEMBL10756954 0.77 EPHX2 (0.53) EPHX2ALOX5GRIN2DGRIN3BGRIN1
SCHEMBL10757410 0.77 EPHX2 (0.53) EPHX2ALOX5GRIN2DGRIN3BGRIN1
SCHEMBL9242092 0.77 EPHX2 (0.53) EPHX2ALOX5GRIN2DGRIN3BGRIN1
SCHEMBL10760637 0.77 EPHX2 (0.53) EPHX2ALOX5GRIN2DGRIN3BGRIN1

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