SCHEMBL21728696

SCHEMBL21728696

CC(=O)Oc1c(F)c(F)c(F)c(P)c1I

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.30
CELA1 Q9UNI1 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
SCHEMBL27437851 0.84 PREP (0.33) PREPCELA1
SCHEMBL22709346 0.82 PREP (0.32) PREPCELA1
SCHEMBL570928 0.81 PREP (0.39) PREPCELA1
SCHEMBL29047018 0.79 PREP (0.38) PREPCELA1
SCHEMBL31634841 0.79 PREP (0.38) PREPCELA1
SCHEMBL14962495 0.74 PREP (0.39) PREPCELA1
SCHEMBL29000115 0.73 PREP (0.40) PREPCELA1
SCHEMBL22701893 0.72 CYP4F2 (0.37) PREPCELA1
SCHEMBL24436825 0.71 PREP (0.41) PREPCELA1
SCHEMBL19605886 0.71 KDM4E (0.36) PREPCELA1

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-3154997-B1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2020-02-19 EP disclosed