SCHEMBL11044598

SCHEMBL11044598

CCCCCC(O)CC(CC(CCC(CCCC)C(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.57
GRIK2 Q13002 2/20 0.57
SLC1A2 P43004 2/20 0.57
SLC1A1 P43005 2/20 0.57
SLC1A3 P43003 1/20 0.54
CA2 P00918 2/20 0.53
MAPK1 P28482 1/20 0.53
GPR84 Q9NQS5 7/20 0.49
FFAR1 O14842 2/20 0.47
FFAR4 Q5NUL3 1/20 0.47
CHRM1 P11229 1/20 0.45
AKR1A1 P14550 1/20 0.45
CHRM3 P20309 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
ADRA1A P35348 1/20 0.45
HRH1 P35367 1/20 0.45
DRD3 P35462 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HDAC1 Q13547 1/20 0.45

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
SCHEMBL10392938 0.93 GRIK1 (0.64) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL28858621 0.93 GRIK1 (0.64) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL25343299 0.91 GRIK1 (0.66) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL9224299 0.88 GRIK1 (0.62) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL3487181 0.85 FFAR1 (0.63) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL2229707 0.85 CHRM1 (0.58) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL19031904 0.85 FFAR1 (0.63) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL7711571 0.84 FFAR1 (0.61) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL7181482 0.84 FFAR1 (0.61) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL8148123 0.84 FFAR1 (0.61) GRIK1GRIK2SLC1A2SLC1A1CA2

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
US-4447440-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS BAYER AKTIENGESELLSCHAFT (DE) 1984-05-08 US disclosed