SCHEMBL3223549

SCHEMBL3223549

CCCCC(C)OC(=O)C(O)C(O)C(=O)OC(C)CCCC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.54
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.39
LMNA P02545 2/20 0.38
ABCB1 P08183 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL29923778 0.88 FAAH (0.54) FAAHCNR1CNR2CA2CA1
SCHEMBL4838991 0.88 FAAH (0.54) FAAHCNR1CNR2CA2CA1
SCHEMBL28651347 0.86 FAAH (0.58) FAAHCNR1CNR2ALDH1A1MAPT
SCHEMBL2332583 0.85 FAAH (0.56) FAAHCNR1CNR2CA2CA1
SCHEMBL18597140 0.83 FAAH (0.54) FAAHCNR1CNR2CA2CA1
SCHEMBL2334601 0.82 CA2 (0.55) FAAHCNR1CNR2CA2CA1
SCHEMBL7715666 0.82 FAAH (0.62) FAAHCNR1CNR2CA2CA1
SCHEMBL18597111 0.82 FAAH (0.53) FAAHCNR1CNR2CA2CA1
SCHEMBL502266 0.80 FAAH (0.50) FAAHCNR1CNR2CA2CA1
SCHEMBL23581684 0.80 CA2 (0.63) FAAHCNR1CNR2CA2CA1

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-20100062029-A1 Product for the Targeted Release of Active Substances LTS LOHMANN THERAPIE-SYSTEME AG (DE) 2010-03-11 US disclosed
US-20080145388-A1 cosmetic cleaning product for controlling release; two layers define a compartment between them, which contains the active substance and optionally a gas-releasing component; one is impermeable, and one is permeable to the active substance; single use for body care; glove shape LTS LOHMANN THERAPIE-SYSTEME AG (DE) 2008-06-19 US disclosed
US-20060052263-A1 Soap preparation with air bubbles SCS SKIN CARE SYSTEMS GMBH 2006-03-09 US disclosed