SCHEMBL2831405

SCHEMBL2831405

CCCCCCCCCCCCCC(CC(C)C)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.68
GRIK2 Q13002 2/20 0.68
SLC1A2 P43004 3/20 0.65
SLC1A1 P43005 2/20 0.65
SLC1A3 P43003 2/20 0.56
CA2 P00918 2/20 0.55
MAPK1 P28482 1/20 0.55
GPR84 Q9NQS5 3/20 0.53
FFAR1 O14842 1/20 0.53
ACE2 Q9BYF1 1/20 0.53
MAPT P10636 1/20 0.52
LCK P06239 1/20 0.52
PPARD Q03181 1/20 0.52
ZDHHC20 Q5W0Z9 1/20 0.52
ZDHHC2 Q9UIJ5 1/20 0.52
CHRM1 P11229 1/20 0.46
AKR1A1 P14550 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46

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
SCHEMBL27891419 1.00 GRIK1 (0.68) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL2833633 1.00 GRIK1 (0.68) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL27855529 1.00 GRIK1 (0.68) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL2835497 1.00 GRIK1 (0.68) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL2833540 1.00 GRIK1 (0.68) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL2831996 1.00 GRIK1 (0.68) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL2831336 1.00 GRIK1 (0.68) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL1871699 1.00 GRIK1 (0.68) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL1411995 1.00 GRIK1 (0.68) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL6676953 1.00 GRIK1 (0.68) GRIK1GRIK2SLC1A2SLC1A1SLC1A3

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-2010115578-A2 NOVEL COMPOUNDS SUITED AS DIESEL SUPPLEMENTS AND DIESEL SUBSTITUTES AND ROUTES FOR THEIR SYNTHESIS ETH ZURICH (CH) 2010-10-14 WO disclosed