SCHEMBL4653064

SCHEMBL4653064

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.52
MAPK1 P28482 1/20 0.52
CA1 P00915 7/20 0.50
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
SLC1A3 P43003 1/20 0.39
ALDH1A1 P00352 2/20 0.39
FDPS P14324 1/20 0.38
USP2 O75604 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4654332 0.83 CA2 (0.54) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL9122437 0.74 CA2 (0.80) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL2152864 0.72 CA2 (0.58) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL504106 0.72 CA2 (0.65) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL2400577 0.71 CA2 (0.95) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL20960313 0.71 CA2 (0.42) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL16241195 0.70 CA2 (0.56) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL2009894 0.70 CA2 (0.56) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL1987890 0.70 CA2 (0.70) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL782014 0.70 CA2 (0.56) CA2MAPK1CA1SLC1A2SLC1A1

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