SCHEMBL2590931

SCHEMBL2590931

COc1c(OC(F)F)ccc(Br)c1OCC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
TUBB1 Q9H4B7 2/20 0.31
PDE4B Q07343 1/20 0.30
PDE4D Q08499 1/20 0.30
TNF P01375 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
SCHEMBL2591340 0.87 NUDT1 (0.35) ALOX5APFEN1MEN1HTTKMT2A
SCHEMBL2591532 0.84 MEN1 (0.36) ALOX5APFEN1MEN1HTTKMT2A
SCHEMBL2591433 0.82 ALOX5AP (0.34) ALOX5APFEN1TUBB1PDE4BPDE4D
SCHEMBL2584271 0.81 ALDH1A1 (0.41) ALOX5APFEN1MEN1HTTKMT2A
SCHEMBL2589057 0.81 ALDH1A1 (0.33) ALOX5APFEN1TUBB1PDE4BPDE4D
SCHEMBL2582074 0.78 TSHR (0.48) MEN1HTTKMT2APDE4D
SCHEMBL2584147 0.74 CNR2 (0.34)
SCHEMBL2589714 0.74 ALDH1A1 (0.48) MEN1KMT2A
SCHEMBL31607167 0.73 ALOX5AP (0.44) ALOX5APFEN1HTTTUBB1PDE4B
SCHEMBL22208768 0.73 ALOX5AP (0.44) ALOX5APFEN1HTTTUBB1PDE4B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563770-A1 BIARYL PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2013-03-06 EP disclosed
WO-2011134468-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2011-11-03 WO disclosed