SCHEMBL9115989

SCHEMBL9115989

CCOC(=O)C(CCOCc1ccccc1)(COC1CCCCO1)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.37
CREBBP Q92793 2/20 0.37
MMP8 P22894 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
EP300 Q09472 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
NAAA Q02083 1/20 0.35
CYP1A2 P05177 1/20 0.35
RECQL P46063 1/20 0.35
PIN1 Q13526 1/20 0.35
SLC6A3 Q01959 2/20 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
SCHEMBL11109111 0.84 MEN1 (0.44) MEN1KMT2AALDH1A1CREBBPMMP8
SCHEMBL9116757 0.82 MEN1 (0.40) MEN1KMT2AALDH1A1CREBBPL3MBTL1
SCHEMBL9115091 0.80 MMP8 (0.50) MEN1KMT2AALDH1A1MMP8L3MBTL1
SCHEMBL3074618 0.80 MEN1 (0.39) MEN1KMT2AALDH1A1CREBBPL3MBTL1
SCHEMBL9240674 0.78 UGCG (0.40) MEN1KMT2ACREBBPEP300KDM4E
SCHEMBL8743538 0.78 KDM4C (0.40) MEN1KMT2ACREBBPL3MBTL1EP300
SCHEMBL4214052 0.77 MEN1 (0.40) MEN1KMT2ACREBBPL3MBTL1EP300
SCHEMBL9115819 0.76 MMP8 (0.47) MEN1KMT2AALDH1A1MMP8L3MBTL1
SCHEMBL8762918 0.75 MEN1 (0.46) MEN1KMT2AALDH1A1ADORA3PIN1
SCHEMBL11110959 0.75 MEN1 (0.41) MEN1KMT2AALDH1A1CREBBPL3MBTL1

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-1995022330-A1 ANTIVIRAL AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1995-08-24 WO disclosed