SCHEMBL27644337

SCHEMBL27644337

Cc1cc(C)c(C)c(C(C)C(C)CC(N)C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.41
SLC1A3 P43003 6/20 0.38
SLC1A2 P43004 6/20 0.38
SLC1A1 P43005 5/20 0.38
GRM1 Q13255 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GRIK1 P39086 2/20 0.36
GRIK2 Q13002 1/20 0.35
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
CASR P41180 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
KYNU Q16719 1/20 0.33
KIF11 P52732 1/20 0.33

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
SCHEMBL27644271 0.85 SLC1A3 (0.38) SLC7A5SLC1A3SLC1A2SLC1A1GRM1
SCHEMBL27644122 0.85 TAS1R3 (0.37) SLC7A5KDM4EALDH1A1HTT
SCHEMBL27644708 0.83 SLC7A5 (0.44) SLC7A5SLC1A3SLC1A2SLC1A1KDM4E
SCHEMBL4986115 0.83 KDM4E (0.34) GRM1KDM4EALDH1A1HTT
SCHEMBL27644802 0.82 GRM1 (0.41) SLC7A5SLC1A3SLC1A2SLC1A1GRM1
SCHEMBL27665304 0.82 ALDH1A1 (0.42) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
SCHEMBL27644384 0.79 SLC7A5 (0.41) SLC7A5SLC1A3SLC1A2SLC1A1KDM4E
SCHEMBL27665306 0.79 SLC1A2 (0.41) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
SCHEMBL27665588 0.78 SLC7A5 (0.46) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
SCHEMBL27644498 0.78 SLC7A5 (0.42) SLC7A5SLC1A3SLC1A2SLC1A1GRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1886363-A Amino acids with affinity for the alpha2delta-protein WARNER LAMBERT CO (US) 2006-12-27 CN claimed
CN-1886363-A Amino acids with affinity for the alpha2delta-protein WARNER LAMBERT CO (US) 2006-12-27 CN disclosed