SCHEMBL4608728

SCHEMBL4608728

COc1ccc(C2CCCCN2c2ccc(OC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 10/20 0.51
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46
FFAR1 O14842 1/20 0.46
MAPT P10636 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
SLC18A3 Q16572 1/20 0.44
HSD17B10 Q99714 1/20 0.44
THRB P10828 1/20 0.43

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
SCHEMBL23610328 0.84 ALDH1A1 (0.47) GAAL3MBTL1ALDH1A1KDM4ETSHR
Hydrochloric Acid SCHEMBL6195686 0.80 CYP19A1 (0.43) L3MBTL1ALDH1A1KDM4EFFAR1MAPT
SCHEMBL12090214 0.80 CHRNA7 (0.56)
SCHEMBL6963115 0.78 NR3C2 (0.48) ALDH1A1KDM4ETSHRMAPTHRH3
SCHEMBL10770146 0.76 ALDH1A1 (0.50) ALDH1A1KDM4ETSHRMAPTHRH3
SCHEMBL3180491 0.75 FFAR1 (0.60) FFAR1HRH3SLC18A3
SCHEMBL6674309 0.75 DPP4 (0.45) GAAL3MBTL1ALDH1A1KDM4EFFAR1
SCHEMBL1445163 0.75 DYRK1A (0.43) GAAL3MBTL1ALDH1A1KDM4ETSHR
SCHEMBL13879514 0.75 ALDH1A1 (0.60) GAAALDH1A1TSHRMAPTHSD17B10
SCHEMBL28403533 0.75 HRH3 (0.53) GAAL3MBTL1ALDH1A1KDM4EFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948636-A2 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM LLC (BM) 2008-07-30 EP disclosed
WO-2007092065-A2 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM LLC (BM) 2007-08-16 WO disclosed