SCHEMBL5483969

SCHEMBL5483969

CCCC(COC(=O)c1ccccc1)CC(C)CC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
ALDH1A1 P00352 6/20 0.50
LMNA P02545 4/20 0.50
CYP3A4 P08684 2/20 0.48
ADRB2 P07550 2/20 0.48
ADRB1 P08588 2/20 0.48
ADRB3 P13945 2/20 0.48
CA2 P00918 1/20 0.48
HSD17B10 Q99714 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
MAPK1 P28482 3/20 0.43
TSHR P16473 3/20 0.43
TDP1 Q9NUW8 3/20 0.41
SLC6A3 Q01959 2/20 0.41
HTR1A P08908 1/20 0.41
CYP2D6 P10635 1/20 0.41
SCN1A P35498 1/20 0.41
SCN5A Q14524 1/20 0.41

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
SCHEMBL9353696 0.87 ALDH1A1 (0.63) MAPTALDH1A1LMNACYP3A4ADRB2
SCHEMBL28261553 0.87 ALDH1A1 (0.61) MAPTALDH1A1LMNACYP3A4ADRB2
SCHEMBL561339 0.87 ALDH1A1 (0.61) MAPTALDH1A1LMNACYP3A4ADRB2
SCHEMBL11081855 0.85 ALDH1A1 (0.58) MAPTALDH1A1LMNACYP3A4ADRB2
SCHEMBL5476291 0.83 ALDH1A1 (0.53) MAPTALDH1A1LMNACYP3A4ADRB2
Ethylene Glycol SCHEMBL17996175 0.82 ALDH1A1 (0.60) MAPTALDH1A1LMNACYP3A4ADRB2
SCHEMBL14770230 0.82 MAPT (0.59) MAPTALDH1A1LMNACYP3A4ADRB2
SCHEMBL442774 0.82 MAPT (0.78) MAPTALDH1A1LMNAADRB2ADRB1
SCHEMBL28248006 0.81 ALDH1A1 (0.54) MAPTALDH1A1LMNACYP3A4ADRB2
SCHEMBL28248007 0.81 ALDH1A1 (0.54) MAPTALDH1A1LMNACYP3A4ADRB2

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 5 patents. 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
EP-1415978-B1 Benzoic acid isodecyl ester mixtures, process for their preparation and their use OXENO OLEFINCHEMIE GMBH (DE) 2006-02-22 EP claimed
US-20040138358-A1 Isodecyl benzoate mixtures, preparation, and their use EVONIK DEGUSSA GMBH (DE) 2004-07-15 US claimed
US-7205349-B2 Isodecyl benzoate mixtures, preparation, and their use OXENO OLEFINCHEMIE GMBH (DE) 2007-04-17 US disclosed
US-20040138358-A1 Isodecyl benzoate mixtures, preparation, and their use EVONIK DEGUSSA GMBH (DE) 2004-07-15 US disclosed