SCHEMBL4654067

SCHEMBL4654067

[CH2]CC(CC(C)C)CC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35
CACNA2D1 P54289 2/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PGR P06401 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
CACNA2D2 Q9NY47 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
SCHEMBL9203043 0.93
SCHEMBL1971833 0.84
SCHEMBL9205812 0.82 ALDH1A1 (0.30) TSHRALDH1A1MAPK1
SCHEMBL27657984 0.80 TSHR (0.31) TSHR
SCHEMBL9210886 0.78
SCHEMBL27637130 0.78
SCHEMBL3075111 0.76 TSHR (0.47) TSHRALDH1A1MAPK1CYP3A4CYP2D6
SCHEMBL9204510 0.76
SCHEMBL9205049 0.74
SCHEMBL57066 0.71

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