SCHEMBL14215901

SCHEMBL14215901

COC(=O)c1cc2ccc(-c3ccc(OCC4C(COc5c(C)cccc5C)=NOC4C(C)C)cc3)cc2cn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.39
ABL1 P00519 6/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR1 P21554 1/20 0.33
ESR1 P03372 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
VDR P11473 1/20 0.32
RXRA P19793 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
ESR2 Q92731 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
LCK P06239 1/20 0.32
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL14215745 0.90 NR1H4 (0.40) NR1H4MEN1KMT2AGAAL3MBTL1
SCHEMBL14215779 0.86 ABL1 (0.36) NR1H4ABL1
SCHEMBL14215780 0.83 NR1H4 (0.48) NR1H4L3MBTL1
SCHEMBL14215804 0.78 NR1H4 (0.41) NR1H4ABL1MEN1KMT2A
SCHEMBL2003064 0.76 NR1H4 (0.57) NR1H4
SCHEMBL14215781 0.76 MAPT (0.39) NR1H4CYP11B1CYP11B2GAA
SCHEMBL14215701 0.74 ALDH1A1 (0.37) NR1H4
SCHEMBL14215880 0.72 NR1H4 (0.58) NR1H4
SCHEMBL4332220 0.71 NR1H4 (0.46) NR1H4MEN1KMT2AESR1THRA
SCHEMBL14215700 0.71 NR1H4 (0.43) NR1H4

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-2008051942-A2 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-02 WO disclosed