SCHEMBL20233449

SCHEMBL20233449

CCCCCCCCC1(C)c2ccccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPL P06858 11/20 0.48
LIPG Q9Y5X9 11/20 0.48
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
PDK2 Q15119 3/20 0.35
ROCK1 Q13464 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
F11 P03951 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
SCHEMBL20180874 0.94 LIPG (0.54) LPLLIPGPRMT5WDR77F11
SCHEMBL15219034 0.94 LIPG (0.54) LPLLIPGPRMT5WDR77F11
SCHEMBL21944334 0.94 LIPG (0.54) LPLLIPGPRMT5WDR77F11
SCHEMBL24665490 0.88 LIPG (0.44) LPLLIPGPRMT5WDR77PDK2
SCHEMBL5095697 0.88 LPL (0.48) LPLLIPGPRMT5WDR77PDK2
SCHEMBL1999143 0.88 LPL (0.48) LPLLIPGPRMT5WDR77PDK2
SCHEMBL29950749 0.88 LPL (0.48) LPLLIPGPRMT5WDR77PDK2
SCHEMBL20233453 0.87 LIPG (0.50) LPLLIPGF11
SCHEMBL13429530 0.87 LPL (0.47) LPLLIPGF11
SCHEMBL19391924 0.87 LIPG (0.47) LPLLIPGPRMT5WDR77PDK2

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
US-20190296242-A1 POLYMERS WITH ASYMMETRIC REPEATING UNITS MERCK PATENT GMBH (DE) 2019-09-26 US disclosed
WO-2018099847-A1 POLYMERS WITH ASYMMETRIC REPEATING UNITS MERCK PATENT GMBH (DE) 2018-06-07 WO disclosed