SCHEMBL4653044

SCHEMBL4653044

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA2 P00918 1/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
ANPEP P15144 1/20 0.31
CACNA2D1 P54289 2/20 0.30
CACNB3 P54284 1/20 0.30
CACNA1C Q13936 1/20 0.30
PGR P06401 1/20 0.30
ADRA1A P35348 1/20 0.30
HTR2B P41595 1/20 0.30
CACNA2D2 Q9NY47 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
SCHEMBL10482863 0.77 ALDH1A1 (0.41) ALDH1A1TDP1CA2TSHR
SCHEMBL4654260 0.71
SCHEMBL2491470 0.71
SCHEMBL8416441 0.70 CES1 (0.37) ALDH1A1MAPK1
SCHEMBL4654047 0.70 ALDH1A1 (0.36) ALDH1A1TDP1CA2TSHRANPEP
SCHEMBL8846434 0.70 ALDH1A1 (0.36) ALDH1A1TDP1
SCHEMBL14391626 0.67
SCHEMBL1369119 0.67
SCHEMBL7471824 0.67
SCHEMBL789796 0.67

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
CN-103781937-B Filmogen, the diaphragm seal using the filmogen, and application thereof 东曹株式会社 2017-05-31 CN disclosed
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