SCHEMBL5154261

SCHEMBL5154261

CCOC(=O)C(N)Cc1ccc(CN(C(C)C)C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ TPH1 P17752 2/20 0.39
▸ SLC7A5 Q01650 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ PTGS1 P23219 2/20 0.37
▸ ALPI P09923 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ XIAP P98170 1/20 0.37
▸ ACACB O00763 1/20 0.36
▸ CPB2 Q96IY4 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ EPHX2 P34913 1/20 0.35

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
SCHEMBL7960935 0.86 SLC7A5 (0.48) TPH1SLC7A5ALDH1A1MMP8PTGS1
SCHEMBL5151172 0.85 TPH1 (0.39) TPH1SLC7A5ALDH1A1LMNAPOLB
SCHEMBL5155245 0.84 HDAC8 (0.45) HDAC8HDAC6TPH1SLC7A5ALDH1A1
SCHEMBL27559555 0.82 TPH1 (0.41) TPH1SLC7A5ALDH1A1LMNAHSD17B10
SCHEMBL5150706 0.81 HRH3 (0.47) TPH1SLC7A5ALDH1A1LMNAPOLB
SCHEMBL20543461 0.81 SLC7A5 (0.44) TPH1SLC7A5ALDH1A1LMNAMMP8
SCHEMBL9967935 0.81 SLC7A5 (0.44) TPH1SLC7A5ALDH1A1LMNAMMP8
SCHEMBL21117856 0.81 SLC7A5 (0.44) TPH1SLC7A5ALDH1A1LMNAMMP8
SCHEMBL14139328 0.81 SLC7A5 (0.44) TPH1SLC7A5ALDH1A1LMNAL3MBTL1
SCHEMBL5151662 0.80 ALDH1A1 (0.44) TPH1SLC7A5ALDH1A1LMNAPOLB

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
US-7157454-B2 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2007-01-02 — — US disclosed
US-20040116353-A1 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI (FR) 2004-06-17 — — US disclosed
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