SCHEMBL4655263

SCHEMBL4655263

CCCCC(CC)[C](CC(C)(C)C)CC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.50
CA1 P00915 4/20 0.50
MAPK1 P28482 2/20 0.50
ALDH1A1 P00352 4/20 0.38
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
USP2 O75604 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
XBP1 P17861 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 2/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL2009894 0.78 CA2 (0.56) CA2CA1MAPK1ALDH1A1SLC1A3
SCHEMBL8927877 0.76 CA2 (0.54) CA2CA1MAPK1ALDH1A1SLC1A3
SCHEMBL1983515 0.76 CA2 (0.54) CA2CA1MAPK1ALDH1A1SLC1A3
SCHEMBL465030 0.73 CA2 (0.70) CA2CA1MAPK1ALDH1A1SLC1A3
SCHEMBL6173918 0.73 CA2 (0.50) CA2CA1MAPK1ALDH1A1SLC1A3
SCHEMBL4655183 0.73 CA2 (0.50) CA2CA1MAPK1ALDH1A1SLC1A3
SCHEMBL14125944 0.71 CA2 (0.67) CA2CA1MAPK1ALDH1A1SLC1A3
SCHEMBL4655325 0.71 CA2 (0.54) CA2CA1MAPK1ALDH1A1SLC1A3
SCHEMBL4655190 0.71 CA2 (0.48) CA2CA1MAPK1ALDH1A1SLC1A3
SCHEMBL4655341 0.71 ALDH1A1 (0.52) CA2CA1MAPK1ALDH1A1TDP1

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-1986598-A1 UV FILTER CAPSULES COMPRISING AN AMINOSUBSTITUTED HYDROXYBENZOPHENONE Merck Patent GmbH (DE) 2008-11-05 EP disclosed
WO-2007093252-A1 UV FILTER CAPSULES COMPRISING AN AMINOSUBSTITUTED HYDROXYBENZOPHENONE MERCK PATENT GMBH (DE) 2007-08-23 WO disclosed