SCHEMBL23905656

SCHEMBL23905656

CC(C)(C)OC(=O)NCC(O)(c1cc2c(c(-c3ccc(F)cc3)n1)OCC2(C)C)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.37
GRM2 Q14416 1/20 0.36
RORC P51449 2/20 0.36
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
PTGS1 P23219 4/20 0.33
PTGS2 P35354 4/20 0.33
ALOX5 P09917 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
MIF P14174 1/20 0.33
LATS1 O95835 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
CYP2C9 P11712 1/20 0.31
IDO1 P14902 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
SCHEMBL23196094 0.92 GRM2 (0.37) CFTRGRM2RORCPDE3BPDE3A
SCHEMBL23905474 0.92 CFTR (0.35) CFTRGRM2RORCPDE3BPDE3A
SCHEMBL23904728 0.92 CFTR (0.35) CFTRGRM2RORCPDE3BPDE3A
SCHEMBL24987101 0.91 CFTR (0.37) CFTRGRM2RORCPDE3BPDE3A
SCHEMBL31412429 0.91 GRM2 (0.37) CFTRGRM2RORCPDE3BPDE3A
SCHEMBL23905654 0.91 CFTR (0.37) CFTRGRM2RORCPDE3BPDE3A
SCHEMBL24987997 0.91 GRM2 (0.37) CFTRGRM2RORCPDE3BPDE3A
SCHEMBL24984865 0.90 CFTR (0.38) CFTRGRM2RORCPDE3BPDE3A
SCHEMBL23905836 0.90 GRM2 (0.35) CFTRGRM2RORCPDE3BPDE3A
SCHEMBL23905373 0.90 GRM2 (0.35) CFTRGRM2RORCPDE3BPDE3A

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