SCHEMBL11261532

SCHEMBL11261532

C=C(SC)C(CC(=O)O)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 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
SCHEMBL21273013 0.78 SLC22A6 (0.33) SLC22A6
SCHEMBL21273015 0.78 SLC22A6 (0.33) SLC22A6
SCHEMBL11357843 0.73 ALDH1A1 (0.30) SLC22A6
SCHEMBL26444829 0.69 SLC22A6 (0.36) SLC22A6
SCHEMBL1130022 0.69 TDP1 (0.40) SLC22A6
SCHEMBL25242211 0.67 SLC22A6 (0.35) SLC22A6
SCHEMBL11268957 0.65 GABRR1 (0.38) SLC22A6
SCHEMBL11276375 0.65
SCHEMBL5184423 0.65 AAK1 (0.36) SLC22A6
SCHEMBL2690868 0.64 RNPEP (0.35)

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-4325877-A Production of intermediates for enzyme inhibitors RICHARDSON-MERRELL INC. (US) 1982-04-20 US disclosed