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SCHEMBL6513458

SCHEMBL6513458

NC(CC(=O)O)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GABRR1 P24046 2/20 0.33
▸ SLC22A6 Q4U2R8 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL327489 0.77 SLC22A6 (0.39) GABRR1SLC22A6LMNATDP1SMN1; SMN2
SCHEMBL15083296 0.77 SLC22A6 (0.39) GABRR1SLC22A6LMNATDP1SMN1; SMN2
SCHEMBL14533751 0.77 SLC22A6 (0.39) GABRR1SLC22A6LMNATDP1SMN1; SMN2
SCHEMBL1790252 0.71 THRB (0.31) SLC22A6THRBTDP1
SCHEMBL10681097 0.70 ALDH1A1 (0.41) THRB
SCHEMBL30979237 0.68 THRB (0.41) SLC22A6THRBTDP1SMN1; SMN2
SCHEMBL23586833 0.67 SLC22A6 (0.39) GABRR1SLC22A6LMNATDP1SMN1; SMN2
SCHEMBL636538 0.67 SLC22A6 (0.39) GABRR1SLC22A6LMNATDP1SMN1; SMN2
SCHEMBL288806 0.67 SLC22A6 (0.39) GABRR1SLC22A6LMNATDP1SMN1; SMN2
SCHEMBL18553119 0.67 SLC22A6 (0.39) GABRR1SLC22A6LMNATDP1SMN1; SMN2

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-20050009151-A1 Methods for the stereospecific and enantiomeric enrichment of beta-amino acids PHARMACIA CORPORATION 2005-01-13 — — US disclosed