SCHEMBL16390959

SCHEMBL16390959

CC(C)(C)OC(=O)CCCOc1[c]cccc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.36
L3MBTL1 Q9Y468 8/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PTPRC P08575 2/20 0.32
LMNA P02545 1/20 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
SCHEMBL5177256 0.84 PTPN1 (0.39) ALDH1A1KDM4EPTPRCLMNA
SCHEMBL16390865 0.84 MAPT (0.44) ALDH1A1KDM4ELMNA
SCHEMBL21612913 0.83 ALDH1A1 (0.34) TDP1ALDH1A1KDM4EPTPRCLMNA
SCHEMBL21612893 0.82 ALDH1A1 (0.35) TDP1ALDH1A1KDM4ELMNA
SCHEMBL17048204 0.81 CYP4F2 (0.47) L3MBTL1TDP1ALDH1A1
SCHEMBL16390958 0.79 HDAC8 (0.37) HDAC8L3MBTL1ALDH1A1KDM4E
SCHEMBL16390799 0.79 PPARA (0.44) HDAC8ALDH1A1LMNA
SCHEMBL29068363 0.78 CA12 (0.50) L3MBTL1TDP1
SCHEMBL2200101 0.78 CA12 (0.53) TDP1
SCHEMBL16673260 0.77 L3MBTL1 (0.52) L3MBTL1TDP1ALDH1A1LMNA

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-2155194-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2015-01-21 EP disclosed