SCHEMBL11295428

SCHEMBL11295428

CCCCCCCCCCCCC(CCS)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.58
GRIK2 Q13002 2/20 0.58
FOLH1 Q04609 4/20 0.56
CA2 P00918 2/20 0.55
MAPK1 P28482 1/20 0.55
SLC1A2 P43004 1/20 0.55
SLC1A1 P43005 1/20 0.55
GPR84 Q9NQS5 3/20 0.53
FFAR1 O14842 1/20 0.53
CHRM1 P11229 1/20 0.52
AKR1A1 P14550 1/20 0.52
CHRM3 P20309 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
ADRA1A P35348 1/20 0.52
HRH1 P35367 1/20 0.52
DRD3 P35462 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52

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
SCHEMBL4455550 1.00 GRIK1 (0.58) GRIK1GRIK2FOLH1CA2MAPK1
SCHEMBL11598279 1.00 GRIK1 (0.58) GRIK1GRIK2FOLH1CA2MAPK1
SCHEMBL11704362 1.00 GRIK1 (0.58) GRIK1GRIK2FOLH1CA2MAPK1
SCHEMBL4454959 1.00 GRIK1 (0.58) GRIK1GRIK2FOLH1CA2MAPK1
SCHEMBL11288996 1.00 GRIK1 (0.58) GRIK1GRIK2FOLH1CA2MAPK1
SCHEMBL9777682 1.00 GRIK1 (0.58) GRIK1GRIK2FOLH1CA2MAPK1
Hydrogen Sulfide SCHEMBL5829331 0.94 GRIK1 (0.53) GRIK1GRIK2FOLH1CA2MAPK1
SCHEMBL15254473 0.92 FOLH1 (0.67) GRIK1GRIK2FOLH1CA2MAPK1
SCHEMBL11356676 0.92 FOLH1 (0.67) GRIK1GRIK2FOLH1CA2MAPK1
SCHEMBL4455847 0.92 CA2 (0.65) GRIK1GRIK2FOLH1CA2MAPK1

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-4329279-A Organostannic stabilizing compositions for vinyl halide resins SOCIETE NATIONALE ELF AQUITAINE (FR) 1982-05-11 US disclosed