SCHEMBL20033246

SCHEMBL20033246

Cc1c(F)c(F)c(OC(=O)CCOCCOCCOCCOCCC(=O)NCCCCC(C)(C)C)c(F)c1F

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
GAA P10253 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
SCHEMBL19698251 1.00 TSHR (0.31) TSHRGAA
SCHEMBL19698594 0.98 RECQL (0.30) TSHR
SCHEMBL19698244 0.98 RECQL (0.30) TSHR
SCHEMBL19703734 0.94 TSHR (0.33) TSHR
SCHEMBL19704337 0.94 TSHR (0.33) TSHR
SCHEMBL20033247 0.92 SIGMAR1 (0.32)
SCHEMBL19698252 0.92 SIGMAR1 (0.32)
SCHEMBL19698247 0.90 SIGMAR1 (0.30)
SCHEMBL19698595 0.90 SIGMAR1 (0.30)
SCHEMBL19698223 0.89 GAA (0.33) TSHRGAA

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-9938323-B2 Amatoxin derivatives and conjugates thereof as inhibitors of RNA polymerase NOVARTIS AG (CH) 2018-04-10 US disclosed