SCHEMBL4566254

SCHEMBL4566254

CCOC(=O)c1ccc(-c2ccc3c(c2)C(C)(C)[C@H]2COc4ccccc4[C@H]2N3OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.41
MAPT P10636 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GLA P06280 1/20 0.39
RARA P10276 2/20 0.36
RARB P10826 2/20 0.36
RARG P13631 1/20 0.36
P2RX3 P56373 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4566136 1.00 PDK2 (0.41) PDK2MAPTMEN1KMT2AGLA
SCHEMBL4628825 0.88 RARB (0.39) RARARARBRARG
SCHEMBL4563580 0.85 MEN1 (0.35) MAPTMEN1KMT2AL3MBTL1
SCHEMBL4565660 0.84 PDK2 (0.41) PDK2MAPTMEN1KMT2A
SCHEMBL4564518 0.82 LTB4R (0.38)
SCHEMBL4563416 0.82 LTB4R (0.36) RARARARBRARGL3MBTL1
SCHEMBL4657250 0.82 LMNA (0.38) PDK2MAPTL3MBTL1
SCHEMBL4564083 0.81 TSHR (0.42) MEN1KMT2AL3MBTL1
SCHEMBL4563452 0.80 PTGS2 (0.39) MAPTL3MBTL1
SCHEMBL4564341 0.78 HSD11B1 (0.39) MAPTMEN1KMT2A

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
EP-2125825-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2009-12-02 EP disclosed
WO-2008079139-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2008-07-03 WO disclosed
EP-1907395-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2008-04-09 EP disclosed
WO-2007002867-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2007-01-04 WO disclosed