SCHEMBL4439335

SCHEMBL4439335

COc1cccc2c1C1Nc3ccc(C(=O)N(C)C)cc3C(C)(C)C1CO2

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
NR3C1 P04150 6/20 0.34
TTK P33981 5/20 0.33
NR3C2 P08235 1/20 0.33
AR P10275 1/20 0.33
XIAP P98170 1/20 0.33
HPGD P15428 1/20 0.32
F10 P00742 1/20 0.32
ERN1 O75460 1/20 0.32
PGR P06401 2/20 0.31
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
IP6K1 Q92551 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
SCHEMBL4814831 1.00 LMNA (0.34) LMNAPOLBNR3C1TTKNR3C2
SCHEMBL4566100 0.91 KMT2A (0.36) LMNAPOLBARPGR
SCHEMBL4555973 0.90 MAPT (0.36) F10
SCHEMBL4863672 0.90 MAPT (0.36) F10
SCHEMBL4611328 0.89 F10 (0.36) POLBF10
SCHEMBL4810475 0.86 TTK (0.31) TTK
SCHEMBL4566784 0.85 RARA (0.43) LMNAPGR
SCHEMBL4864199 0.84 PDE4A (0.39) F10ERN1ROCK2
SCHEMBL4811546 0.84 NPC1 (0.39) POLB
SCHEMBL14625088 0.84 NPC1 (0.39) POLB

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-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