SCHEMBL24520263

SCHEMBL24520263

N[C@H](CC12CCC3CC(CC3C1)C2)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 1/20 0.42
GRM1 Q13255 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GRIK1 P39086 1/20 0.30
GRIK2 Q13002 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL6679868 0.80 ALDH1A1 (0.56) ALDH1A1ALOX15GRM1SMN1; SMN2TSHR
SCHEMBL839163 0.80 ALDH1A1 (0.56) ALDH1A1ALOX15GRM1SMN1; SMN2TSHR
SCHEMBL22117543 0.77 GRM1 (0.52) ALDH1A1ALOX15GRM1GRIK1GRIK2
SCHEMBL22117545 0.77 GRM1 (0.52) ALDH1A1ALOX15GRM1GRIK1GRIK2
SCHEMBL25283997 0.76 GRM1 (0.55) ALDH1A1ALOX15GRM1SMN1; SMN2TSHR
SCHEMBL25283998 0.76 GRM1 (0.55) ALDH1A1ALOX15GRM1SMN1; SMN2TSHR
SCHEMBL5327206 0.74 ALDH1A1 (0.41) ALDH1A1TSHRPOLB
SCHEMBL26847822 0.72 GRM1 (0.39) ALDH1A1ALOX15GRM1SMN1; SMN2NPSR1
SCHEMBL14768973 0.71 GRIN2D (0.54) ALDH1A1TSHR
SCHEMBL19458875 0.68 GRIN2D (0.33)

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
EP-4015529-A1 G PROTEIN PEPTIDOMIMETICS Vrije Universiteit Brussel (BE) 2022-06-22 EP disclosed