SCHEMBL5526112

SCHEMBL5526112

CCCCC(CC)CC(C(=O)c1ccccc1)C(=O)c1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 4/20 0.44
CA2 P00918 1/20 0.44
CYP3A4 P08684 1/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
MITF O75030 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL541916 0.87 CES2 (0.54) CES2CES1SLC6A2SLC6A4SLC6A3
SCHEMBL647743 0.86 CES2 (0.50) TDP1CES2CES1SLC6A2SLC6A4
SCHEMBL7027705 0.85 ALDH1A1 (0.48) CES2CES1SLC6A2SLC6A3MEN1
SCHEMBL8746744 0.78 ALDH1A1 (0.49) CES2CES1SLC6A2SLC6A3MEN1
SCHEMBL16166489 0.78 CES2 (0.57) CES2CES1MEN1KMT2ANPC1
SCHEMBL7028910 0.78 SLC6A3 (0.45) SLC6A2SLC6A4SLC6A3ALDH1A1CA2
SCHEMBL29970780 0.76 TDP1 (0.60) TDP1SLC6A2SLC6A4SLC6A3MEN1
SCHEMBL21908130 0.75 ALDH1A1 (0.61) TDP1CES2CES1MAPTALDH1A1
SCHEMBL6386045 0.75 RAB9A (0.50) TDP1KMT2ANPC1RAB9AMAPT
SCHEMBL2290396 0.75 ALDH1A1 (0.60) CES2CES1SLC6A2SLC6A4SLC6A3

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
US-20070269389-A1 Base Composition for Preparing Multi-Functional Formulations for Care and Protection of the Skin and Hair NATURA COSMETICOS S.A. (BR) 2007-11-22 US disclosed
EP-1722859-A1 A BASE COMPOSITION FOR PREPARING MULTI-FUNCTIONAL FORMULATIONS FOR CARE AND PROTECTION OF THE SKIN AND HAIR Natura Cosméticos S.A. (BR) 2006-11-22 EP disclosed
WO-2005060923-A1 A BASE COMPOSITION FOR PREPARING MULTI-FUNCTIONAL FORMULATIONS FOR CARE AND PROTECTION OF THE SKIN AND HAIR Natura Cosméticos S.A. (BR) 2005-07-07 WO disclosed