SCHEMBL30701366

SCHEMBL30701366

C=CCCCCC(CCCCC)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
CA2 P00918 1/20 0.52
MAPK1 P28482 1/20 0.52
GRIK1 P39086 2/20 0.51
GRIK2 Q13002 2/20 0.51
SLC1A2 P43004 2/20 0.51
SLC1A1 P43005 2/20 0.51
CHRM1 P11229 1/20 0.48
AKR1A1 P14550 1/20 0.48
CHRM3 P20309 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
ADRA1A P35348 1/20 0.48
HRH1 P35367 1/20 0.48
DRD3 P35462 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 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
SCHEMBL30701354 0.98 TSHR (0.57) TSHRCA2MAPK1GRIK1GRIK2
SCHEMBL30701358 0.98 TSHR (0.57) TSHRCA2MAPK1GRIK1GRIK2
SCHEMBL30701393 0.98 TSHR (0.57) TSHRCA2MAPK1GRIK1GRIK2
SCHEMBL30701403 0.98 TSHR (0.57) TSHRCA2MAPK1GRIK1GRIK2
SCHEMBL30701347 0.98 TSHR (0.57) TSHRCA2MAPK1GRIK1GRIK2
SCHEMBL23833911 0.98 TSHR (0.57) TSHRCA2MAPK1GRIK1GRIK2
SCHEMBL3387983 0.98 TSHR (0.57) TSHRCA2MAPK1GRIK1GRIK2
SCHEMBL3389736 0.98 TSHR (0.57) TSHRCA2MAPK1GRIK1GRIK2
SCHEMBL17046526 0.98 TSHR (0.57) TSHRCA2MAPK1GRIK1GRIK2
SCHEMBL30701389 0.98 TSHR (0.57) TSHRCA2MAPK1GRIK1GRIK2

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
CN-117222414-A Compounds for activating constant natural killer T-cells and methods for eliminating inflammatory senescent cells 脱落性治疗公司 2023-12-12 CN disclosed