SCHEMBL19088521

SCHEMBL19088521

C1=C(c2ccc(CCOCc3ccccc3)cc2)CCOC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
BRD4 O60885 1/20 0.37
TSHR P16473 1/20 0.37
LTA4H P09960 1/20 0.36
ATM Q13315 1/20 0.36
FABP7 O15540 2/20 0.35
NAAA Q02083 1/20 0.35
PIK3CD O00329 3/20 0.34
PIK3CA P42336 3/20 0.34
PIK3CB P42338 3/20 0.34
PIK3CG P48736 3/20 0.34
PIK3R1 P27986 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FABP3 P05413 1/20 0.34
FABP5 Q01469 1/20 0.34
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL2019836 0.79 GSTP1 (0.48) L3MBTL1KMT2ACYP2C19
SCHEMBL21159519 0.76 BRD4 (0.41) BRD4LTA4HFABP7MEN1KMT2A
SCHEMBL28716976 0.76 TSHR (0.54) L3MBTL1TDP1TSHRLTA4HNAAA
SCHEMBL23258791 0.74 ATM (0.41) L3MBTL1BRD4ATMFABP7PIK3CD
SCHEMBL18857842 0.74 MAPK14 (0.47) ATMFABP7PIK3CDPIK3CAPIK3CB
SCHEMBL1066576 0.73 TSHR (0.67) L3MBTL1TDP1TSHRLTA4HNAAA
SCHEMBL18256350 0.73 LTA4H (0.40) L3MBTL1BRD4TSHRLTA4HATM
SCHEMBL23279538 0.73 LTA4H (0.40) L3MBTL1BRD4TSHRLTA4HATM
SCHEMBL9214604 0.72 FABP7 (0.51) BRD4ATMFABP7PIK3CDPIK3CA
SCHEMBL18248132 0.72 PRMT5 (0.39) BRD4ATMFABP7PIK3CDPIK3CA

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-2017116702-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS MERIAL, INC. (US) 2017-07-06 WO disclosed