SCHEMBL6829368

SCHEMBL6829368

COC(=O)CCN(C)CCC(O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LTA4H P09960 2/20 0.43
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SLC6A9 P48067 2/20 0.41
RIPK1 Q13546 1/20 0.41
AOC3 Q16853 1/20 0.41

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
SCHEMBL6829760 0.87 LTA4H (0.51) KMT2AMEN1SMN1; SMN2LTA4HKDM4E
SCHEMBL6829815 0.87 MEN1 (0.51) KMT2AMEN1MAPTLTA4HALDH1A1
SCHEMBL6829528 0.86 KMT2A (0.50) KMT2AMEN1GAAMAPTLTA4H
SCHEMBL6829910 0.86 MEN1 (0.50) KMT2AMEN1MAPTLTA4HCA12
SCHEMBL1520986 0.83 CA12 (0.49) KMT2ASMN1; SMN2CA12CA7CA9
SCHEMBL10042377 0.83 CA12 (0.49) KMT2ASMN1; SMN2CA12CA7CA9
SCHEMBL11375764 0.80 PPARG (0.54) CA12CA7CA9CA14RIPK1
SCHEMBL6831514 0.79 AOC3 (0.49) GAAMAPTLTA4HALDH1A1SLC6A9
SCHEMBL28391707 0.77 LMNA (0.52) GAAKDM4EALDH1A1RIPK1AOC3
SCHEMBL6830431 0.77 UTS2R (0.42) KMT2ASLC6A9

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
WO-2004043921-A1 NOVEL PROCESS FOR THE PREPARATION OF 4-ARYL-3-HYDROXYMETHYL-1-METHYLPIPERIDINES. NATCO PHARMA LIMITED (IN) 2004-05-27 WO disclosed