SCHEMBL7464853

SCHEMBL7464853

CCOC(=O)c1ccc(N2CCCC(OS(C)(=O)=O)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 5/20 0.46
POLB P06746 1/20 0.46
HTT P42858 3/20 0.45
HPGD P15428 4/20 0.44
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
CYP2C9 P11712 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
FDFT1 P37268 1/20 0.42

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
SCHEMBL377981 0.86 MEN1 (0.52) MEN1KMT2AALDH1A1POLBHTT
SCHEMBL7470844 0.83 ALDH1A1 (0.50) MEN1KMT2AALDH1A1POLBHTT
SCHEMBL7468160 0.80 DPP4 (0.56) MEN1KMT2AALDH1A1POLBHTT
SCHEMBL7051582 0.80 DPP4 (0.56) MEN1KMT2AALDH1A1POLBHTT
SCHEMBL21135456 0.79 ALDH1A1 (0.48) MEN1KMT2AALDH1A1POLBHTT
SCHEMBL21135449 0.79 ALDH1A1 (0.48) MEN1KMT2AALDH1A1POLBHTT
SCHEMBL21135497 0.79 ALDH1A1 (0.48) MEN1KMT2AALDH1A1POLBHTT
SCHEMBL23839398 0.78 HTT (0.50) MEN1KMT2AALDH1A1POLBHTT
SCHEMBL23839396 0.78 HTT (0.50) MEN1KMT2AALDH1A1POLBHTT
SCHEMBL1096771 0.78 TDP1 (0.55) MEN1KMT2AALDH1A1POLBHTT

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-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 EP disclosed