SCHEMBL1077355

SCHEMBL1077355

Cn1cc(OC(=O)Nc2ccccc2CCC(C)(C)C)c(C(F)F)n1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ IRAK4 Q9NWZ3 5/20 0.32
▸ TRPV1 Q8NER1 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ BCHE P06276 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ RORC P51449 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
SCHEMBL5722087 0.85 DHODH (0.34) DHODHATMIRAK4LMNA
SCHEMBL5147003 0.84 ACHE (0.36) DHODHATMLMNABCHEACHE
SCHEMBL169389 0.83 ATM (0.44) DHODHATMIRAK4
SCHEMBL30753925 0.83 ATM (0.44) DHODHATMIRAK4
SCHEMBL4975597 0.81 CHRM3 (0.34) ATMIRAK4LMNA
SCHEMBL1683038 0.78 TSHR (0.44) LMNAL3MBTL1
SCHEMBL3039851 0.77 CHRM3 (0.44) —
SCHEMBL5165160 0.77 NPC1 (0.47) ATMLMNABCHE
SCHEMBL4648738 0.77 LMNA (0.40) LMNA
SCHEMBL3041879 0.76 CHRM3 (0.42) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893024-A2 ACTIVE SUBSTANCE COMBINATIONS Bayer CropScience Aktiengesellschaft (DE) 2008-03-05 — — EP claimed
WO-2006131230-A2 ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG (DE) 2006-12-14 — — WO claimed
EP-2272369-A1 Agent combinations Bayer CropScience AG (DE) 2011-01-12 — — EP disclosed
EP-2263462-A1 Agent combinations Bayer CropScience AG (DE) 2010-12-22 — — EP disclosed
EP-2260711-A2 Agent combinations Bayer CropScience AG (DE) 2010-12-15 — — EP disclosed
EP-2255652-A2 Agent combinations Bayer CropScience AG (DE) 2010-12-01 — — EP disclosed
EP-2255657-A1 Agent combinations Bayer CropScience AG (DE) 2010-12-01 — — EP disclosed
EP-2255656-A2 Agent combinations Bayer CropScience AG (DE) 2010-12-01 — — EP disclosed
EP-2255654-A2 Agent combinations Bayer CropScience AG (DE) 2010-12-01 — — EP disclosed
EP-1893024-A2 ACTIVE SUBSTANCE COMBINATIONS Bayer CropScience Aktiengesellschaft (DE) 2008-03-05 — — EP disclosed
WO-2006131230-A2 ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG (DE) 2006-12-14 — — WO disclosed
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