SCHEMBL7263221

SCHEMBL7263221

CC(C)COC(=O)C(C)O[C@@H]1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SLC6A3 Q01959 2/20 0.33
TSHR P16473 2/20 0.32

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
SCHEMBL7263222 1.00 RAB9A (0.35) RAB9AMEN1KMT2ASLC6A3TSHR
SCHEMBL13983475 1.00 RAB9A (0.35) RAB9AMEN1KMT2ASLC6A3TSHR
SCHEMBL8374251 0.86 ALDH1A1 (0.39) RAB9AMEN1KMT2ASLC6A3TSHR
SCHEMBL8979396 0.86 ALDH1A1 (0.39) RAB9AMEN1KMT2ASLC6A3TSHR
SCHEMBL9044976 0.86 ALDH1A1 (0.39) RAB9AMEN1KMT2ASLC6A3TSHR
SCHEMBL29198506 0.86 ALDH1A1 (0.39) RAB9AMEN1KMT2ASLC6A3TSHR
SCHEMBL2380756 0.83 SLC6A3 (0.43) MEN1KMT2ASLC6A3TSHR
SCHEMBL1829324 0.83 SLC6A3 (0.43) MEN1KMT2ASLC6A3TSHR
SCHEMBL2380760 0.83 SLC6A3 (0.43) MEN1KMT2ASLC6A3TSHR
SCHEMBL4735100 0.83 SLC6A3 (0.43) MEN1KMT2ASLC6A3TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6653296-B1 2-phosphonomethoxypropyl derivatives of purine and pyrimidine bases INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2003-11-25 US disclosed
EP-0897917-A1 Compounds for use in the preparation of antiretroviral enantiomeric nucleotide analogs INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1999-02-24 EP disclosed
EP-0654037-A1 ANTIRETROVIRAL ENANTIOMERIC NUCLEOTIDE ANALOGS INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1995-05-24 EP disclosed
WO-1994003467-A2 ANTIRETROVIRAL ENANTIOMERIC NUCLEOTIDE ANALOGS INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1994-02-17 WO disclosed