SCHEMBL13631103

SCHEMBL13631103

CCOC(=O)/C=C1\CCC(NC(=O)OC(C)(C)C)CN1Cc1ccc(OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 4/20 0.40
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
MMP1 P03956 1/20 0.37
MMP13 P45452 1/20 0.37
MCHR1 Q99705 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
CACNA1B Q00975 1/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL13434258 1.00 ALDH1A1 (0.41) ALDH1A1L3MBTL1KMT2APKMHTT
SCHEMBL3488949 0.89 KMT2A (0.45) ALDH1A1L3MBTL1KMT2APKMHTT
SCHEMBL3488955 0.89 KMT2A (0.45) ALDH1A1L3MBTL1KMT2APKMHTT
SCHEMBL13434254 0.82 CYP3A4 (0.47) ALDH1A1L3MBTL1KMT2ASMN1; SMN2CYP3A4
SCHEMBL13434255 0.81 L3MBTL1 (0.45) ALDH1A1L3MBTL1KMT2APKMHTT
SCHEMBL13434257 0.75 L3MBTL1 (0.41) ALDH1A1L3MBTL1KMT2APKMHTT
SCHEMBL13434256 0.75 L3MBTL1 (0.41) ALDH1A1L3MBTL1KMT2APKMHTT
SCHEMBL13631102 0.75 L3MBTL1 (0.41) ALDH1A1L3MBTL1KMT2APKMHTT
SCHEMBL7794347 0.75 L3MBTL1 (0.41) ALDH1A1L3MBTL1KMT2APKMHTT
SCHEMBL29725628 0.74 SIGMAR1 (0.56) ALDH1A1L3MBTL1KMT2AMCHR1HRH3

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