SCHEMBL6197176

SCHEMBL6197176

CC(C)(C)C1CCNC(CC(=O)Cc2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
EPHX2 P34913 1/20 0.37
MMP3 P08254 1/20 0.37
CASP1 P29466 1/20 0.37
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
MASP2 O00187 1/20 0.34
MEN1 O00255 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PLG P00747 2/20 0.34
CYP19A1 P11511 1/20 0.34

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
SCHEMBL6194109 0.83 KMT2A (0.39) MAPTKDM4EGLAALDH1A1HPGD
SCHEMBL7539706 0.76 POLB (0.57) POLBEPHX2KMT2A
SCHEMBL24506872 0.68 ACHE (0.45) ALDH1A1MEN1KMT2A
SCHEMBL10204064 0.67 CES2 (0.50) EPHX2GLAALDH1A1HPGDMEN1
SCHEMBL15925041 0.67 AGL (0.33)
SCHEMBL16543116 0.67 EPHX2 (0.65) EPHX2ALDH1A1MEN1KMT2A
SCHEMBL20627986 0.66 POLB (0.58) POLBEPHX2KMT2A
SCHEMBL25481754 0.65
SCHEMBL10906216 0.65 CES1 (0.52) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL11880408 0.65 NPC1 (0.57) EPHX2KDM4EGLAALDH1A1HPGD

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-1505872-A1 RODENTICIDAL BAIT SYSTEM Bayer CropScience Aktiengesellschaft (DE) 2005-02-16 EP disclosed
WO-2003094612-A1 RODENTICIDAL BAIT SYSTEM BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-11-20 WO disclosed