SCHEMBL7209991

SCHEMBL7209991

CC(C)OB(Oc1ccccc1)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LTA4H P09960 2/20 0.33
TSHR P16473 1/20 0.33
MAOA P21397 1/20 0.32
PTGS1 P23219 1/20 0.32
ANPEP P15144 1/20 0.31
LAP3 P28838 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
SRC P12931 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL11504603 0.87 CA4 (0.42) CA4ALDH1A1LMNAL3MBTL1LTA4H
SCHEMBL2575659 0.75 LMNA (0.39) CA4ALDH1A1LMNALTA4HTSHR
SCHEMBL7215809 0.71 TSHR (0.40) ALDH1A1LMNAL3MBTL1TSHRMAOA
SCHEMBL998407 0.68
SCHEMBL2031393 0.67 ANPEP (0.38) CA4LMNALTA4HTSHRMAOA
SCHEMBL3894413 0.67 CA4 (0.36) CA4ALDH1A1LMNAL3MBTL1LTA4H
SCHEMBL29965221 0.66 LTA4H (0.47) CA4ALDH1A1LMNAL3MBTL1LTA4H
SCHEMBL12394 0.64 KMT2A (0.54) CA4ALDH1A1LMNALTA4HTSHR
SCHEMBL14983316 0.64 CA4 (0.48) CA4ALDH1A1LMNALTA4HTSHR
SCHEMBL10021884 0.64 CA4 (0.48) CA4ALDH1A1LMNALTA4HTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0974595-B1 PROCESS FOR PRODUCING BORON COMPOUNDS SHOWA DENKO KK (JP) 2003-10-01 EP disclosed
US-6140537-A REACTING AN ORGANIC OXYBORON COMPOUND WITH LITHIUM, MAGNESIUM, OR COMPOUND THEREOF; FORMING BORON ANION COMPOUND; ION EXCHANGING SHOWA DENKO K.K. (JP) 2000-10-31 US disclosed
EP-0974595-A1 PROCESS FOR PRODUCING BORON COMPOUNDS Showa Denko Kabushiki Kaisha (JP) 2000-01-26 EP disclosed