SCHEMBL23905686

SCHEMBL23905686

COc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)c(C(F)(F)F)c4)n2)OCC3(CF)CF)C(F)(F)F)cc2cc(C)nnc12

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
CFTR P13569 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
SCHEMBL23905573 1.00 PPARD (0.30) PPARDPPARACFTR
SCHEMBL23905687 0.92 CFTR (0.33) CFTR
SCHEMBL23905664 0.91 MAPT (0.33) PPARD
SCHEMBL23905684 0.91 THRB (0.34)
SCHEMBL23905668 0.87 CFTR (0.34) CFTR
SCHEMBL23905347 0.85 CFTR (0.32) CFTR
SCHEMBL23905673 0.84 CFTR (0.32) CFTR
SCHEMBL23905256 0.84 CFTR (0.34) CFTR
SCHEMBL23905595 0.84 CFTR (0.34) CFTR
SCHEMBL23905593 0.84 CFTR (0.31) CFTR

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
WO-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 WO disclosed