SCHEMBL5847175

SCHEMBL5847175

C/C(=N\c1ccc(C(C)(C)C)cc1)c1cccc(/C(C)=N/c2ccccc2C(C)(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.40
SLC22A1 O15245 1/20 0.40
SLC22A3 O75751 1/20 0.40
AGTR1 P30556 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CA2 P00918 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PLA2G1B P04054 1/20 0.33
MAPT P10636 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
NPC1 O15118 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL5352729 1.00 SLC22A2 (0.40) SLC22A2SLC22A1SLC22A3AGTR1GRIN2D
SCHEMBL15840501 0.91 GRIN2D (0.40) AGTR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15906747 0.91 GRIN2D (0.40) AGTR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5354758 0.89 GRIN2D (0.45) AGTR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29494130 0.89 GRIN2D (0.45) AGTR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL819043 0.89 GRIN2D (0.45) AGTR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31465572 0.89 GRIN2D (0.45) AGTR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28374465 0.87 GRIN2D (0.44) AGTR1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL3824137 0.86 GRIN2D (0.43) AGTR1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL818887 0.86 GRIN2D (0.43) AGTR1GRIN2DGRIN3BGRIN1GRIN2A

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-7238764-B2 Process for the co-oligomerisation of ethylene and alpha olefins SHELL OIL COMPANY (US) 2007-07-03 US disclosed
US-7037988-B2 Process for the co-oligomerisation of ethylene and alpha olefins SHELL OIL COMPANY (US) 2006-05-02 US disclosed