SCHEMBL13630926

SCHEMBL13630926

CCOC(=O)CC1CCC(NC(C)C)CN1Cc1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
POLB P06746 3/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 3/20 0.40
SIGMAR1 Q99720 3/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
MEN1 O00255 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39
EPHX2 P34913 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL12361787 1.00 ALDH1A1 (0.41) ALDH1A1POLBGAAL3MBTL1KMT2A
SCHEMBL13434260 1.00 ALDH1A1 (0.41) ALDH1A1POLBGAAL3MBTL1KMT2A
SCHEMBL13631280 1.00 ALDH1A1 (0.41) ALDH1A1POLBGAAL3MBTL1KMT2A
SCHEMBL12353628 0.91 POLB (0.40) ALDH1A1POLBL3MBTL1KMT2AOPRK1
SCHEMBL2820558 0.88 SIGMAR1 (0.46) POLBSIGMAR1KDM4EEPHX2
SCHEMBL2817309 0.88 SIGMAR1 (0.46) POLBSIGMAR1KDM4EEPHX2
SCHEMBL7602474 0.83 HPGD (0.44) ALDH1A1GAAL3MBTL1KMT2ASIGMAR1
SCHEMBL13434257 0.83 L3MBTL1 (0.41) ALDH1A1L3MBTL1KMT2ASIGMAR1OPRM1
SCHEMBL13434256 0.83 L3MBTL1 (0.41) ALDH1A1L3MBTL1KMT2ASIGMAR1OPRM1
SCHEMBL13631102 0.83 L3MBTL1 (0.41) ALDH1A1L3MBTL1KMT2ASIGMAR1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP disclosed