SCHEMBL5486475

SCHEMBL5486475

CC(C)CCC(COC(=O)c1ccccc1)C(C)C.CCC(C)CC(COC(=O)c1ccccc1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
ALDH1A1 P00352 2/20 0.47
ADRB2 P07550 2/20 0.45
ADRB1 P08588 2/20 0.45
ADRB3 P13945 2/20 0.45
LMNA P02545 1/20 0.43
TSHR P16473 2/20 0.40
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SLC1A5 Q15758 1/20 0.37
PRKCA P17252 1/20 0.37
NPC1 O15118 2/20 0.37
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL5484090 0.93 MAPT (0.57) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL5486517 0.89 ALDH1A1 (0.57) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL14956200 0.80 ALDH1A1 (0.65) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL442774 0.79 MAPT (0.78) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL5483969 0.77 MAPT (0.55) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL1784777 0.77 ALDH1A1 (0.65) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL19348901 0.76 TSHR (0.69) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL570914 0.76 ALDH1A1 (0.59) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL5476291 0.74 ALDH1A1 (0.53) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL571219 0.74 ALDH1A1 (0.69) MAPTALDH1A1ADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205349-B2 Isodecyl benzoate mixtures, preparation, and their use OXENO OLEFINCHEMIE GMBH (DE) 2007-04-17 US claimed