SCHEMBL7009084

SCHEMBL7009084

CCCCOc1c(CN)n(CC(C)(C)C)c(=O)c2cc(C(F)(F)F)ccc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORA P35398 8/20 0.41
RORC P51449 8/20 0.41
RORB Q92753 8/20 0.41
DPP4 P27487 3/20 0.40
PGR P06401 6/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.34
NR1H2 P55055 1/20 0.34
DDR1 Q08345 1/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
LIPC P11150 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
NOD2 Q9HC29 1/20 0.33
NOD1 Q9Y239 1/20 0.33

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
Hydrochloric Acid SCHEMBL5231967 0.99 RORA (0.41) RORARORCRORBDPP4PGR
Hydrochloric Acid SCHEMBL5237070 0.95 RORA (0.43) RORARORCRORBDPP4PGR
SCHEMBL5239031 0.90 RORA (0.44) RORARORCRORBPGRPTGDR2
SCHEMBL5236096 0.90 RORA (0.41) RORARORCRORBDPP4PGR
Hydrochloric Acid SCHEMBL5234632 0.86 DPP4 (0.41) DPP4PARP1PARP2
Hydrochloric Acid SCHEMBL5238860 0.86 DPP4 (0.42) DPP4PGR
SCHEMBL5233756 0.85 RORA (0.46) RORARORCRORBDPP4PGR
SCHEMBL5235895 0.85 RORA (0.44) RORARORCRORBDPP4PGR
Hydrochloric Acid SCHEMBL5237526 0.85 DPP4 (0.41) RORARORCRORBDPP4PGR
SCHEMBL5235827 0.84 RORA (0.40) RORARORCRORBPGRPTGDR2

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-1355886-A1 FUSED HETEROCYCLIC COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP disclosed
WO-2002062764-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-15 WO disclosed