SCHEMBL17110871

SCHEMBL17110871

C#CC(C)(CC)NC(=O)c1cc(F)cnc1NC1CC(F)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
IRAK4 Q9NWZ3 10/20 0.34
SMN1; SMN2 Q16637 1/20 0.31
PTGER4 P35408 1/20 0.31
MAPT P10636 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
SCHEMBL17110879 1.00 TRPA1 (0.41) TRPA1POLBL3MBTL1HTTALDH1A1
SCHEMBL17110958 1.00 TRPA1 (0.41) TRPA1POLBL3MBTL1HTTALDH1A1
SCHEMBL17110872 0.89 TRPA1 (0.41) TRPA1POLBL3MBTL1HTTALDH1A1
SCHEMBL17110926 0.89 TRPA1 (0.41) TRPA1POLBL3MBTL1HTTALDH1A1
SCHEMBL17110870 0.89 TRPA1 (0.41) TRPA1POLBL3MBTL1HTTALDH1A1
SCHEMBL15638540 0.87 TRPA1 (0.56) TRPA1POLBL3MBTL1HTTALDH1A1
SCHEMBL17112659 0.87 TRPA1 (0.56) TRPA1POLBL3MBTL1HTTALDH1A1
SCHEMBL17112679 0.87 TRPA1 (0.56) TRPA1POLBL3MBTL1HTTALDH1A1
SCHEMBL17112615 0.85 TRPA1 (0.46) TRPA1POLBL3MBTL1HTTALDH1A1
SCHEMBL17110910 0.85 TRPA1 (0.46) TRPA1POLBL3MBTL1HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015144977-A1 TRPA1 MODULATORS ORIEN CORPORATION (FI) 2015-10-01 WO claimed
WO-2015144976-A1 TRPA1 MODULATORS ORION CORPORATION (FI) 2015-10-01 WO disclosed
WO-2015144977-A1 TRPA1 MODULATORS ORIEN CORPORATION (FI) 2015-10-01 WO disclosed