SCHEMBL11678343

SCHEMBL11678343

CC(C1CCCCC1)(C1CCCCC1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.33
EPHX1 P07099 2/20 0.31
EPHX2 P34913 1/20 0.31
GRIN2D O15399 2/20 0.30
GRIN3B O60391 2/20 0.30
GRIN1 Q05586 2/20 0.30
GRIN2A Q12879 2/20 0.30
GRIN2B Q13224 2/20 0.30
GRIN2C Q14957 2/20 0.30
GRIN3A Q8TCU5 2/20 0.30

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
SCHEMBL7457170 0.79 SIGMAR1 (0.35) SIGMAR1EPHX1EPHX2
SCHEMBL7459194 0.77 SIGMAR1 (0.33) SIGMAR1EPHX1EPHX2
SCHEMBL3674152 0.74 EPHX1 (0.31) SIGMAR1EPHX1EPHX2
SCHEMBL2012720 0.71
SCHEMBL2825436 0.68 GRIN2D (0.45) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2013715 0.67
SCHEMBL7457950 0.67 ALDH1A1 (0.32) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10497358 0.65 GRIN2D (0.33) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL871816 0.64 GRIN2D (0.36) SIGMAR1EPHX2GRIN2DGRIN3BGRIN1
SCHEMBL299469 0.64 GRIN2D (0.41) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

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
US-4041086-A HYDRAULIC FLUIDS, DIELECTRIC COOLANTS, TRACTION FLUIDS, LUBRICANTS ON SUN VENTURES, INC. (US) 1977-08-09 US claimed
US-4041086-A HYDRAULIC FLUIDS, DIELECTRIC COOLANTS, TRACTION FLUIDS, LUBRICANTS ON SUN VENTURES, INC. (US) 1977-08-09 US disclosed