SCHEMBL4805210

SCHEMBL4805210

CCCCC/C=C\C/C=C\C/C=C\CCCCCOCCCO

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
CNR1 P21554 1/20 0.58
CNR2 P34972 1/20 0.58
MEN1 O00255 1/20 0.55
THRB P10828 1/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.55
MAPT P10636 1/20 0.55

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
SCHEMBL14139768 1.00 ALDH1A1 (0.58) ALDH1A1CNR1CNR2MEN1THRB
SCHEMBL4805222 1.00 ALDH1A1 (0.58) ALDH1A1CNR1CNR2MEN1THRB
SCHEMBL18784334 1.00 ALDH1A1 (0.58) ALDH1A1CNR1CNR2MEN1THRB
SCHEMBL20985448 0.96 ALDH1A1 (0.58) ALDH1A1CNR1CNR2MEN1THRB
SCHEMBL26637906 0.96 ALDH1A1 (0.58) ALDH1A1CNR1CNR2MEN1THRB
SCHEMBL6265861 0.94 MEN1 (0.61) ALDH1A1CNR1CNR2MEN1THRB
SCHEMBL12349212 0.93 MEN1 (0.66) ALDH1A1CNR1CNR2MEN1THRB
SCHEMBL16694460 0.93 MEN1 (0.66) ALDH1A1CNR1CNR2MEN1THRB
SCHEMBL17199807 0.93 MEN1 (0.64) ALDH1A1CNR1CNR2MEN1THRB
SCHEMBL28927797 0.91 MEN1 (0.61) ALDH1A1MEN1THRBHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43632-E1 1,3-propane diol esters and ethers and methods for their use in drug delivery SCARISTA, LTD. (GB) 2012-09-04 US disclosed
US-RE40546-E1 1,3-Propane diol esters and ethers and methods for their use in drug delivery SCARISTA, LTD. (GB) 2008-10-21 US disclosed
US-RE40480-E1 1,3-Propane diol esters and ethers and methods for their use in drug delivery SCARISTA LIMITED (GB) 2008-09-02 US disclosed
EP-0823897-B1 NICOTINIC ACID ESTERS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCARISTA LTD (GB) 2004-07-28 EP disclosed
US-6555700-B1 Bioactives (drugs, nutrients) in a form in which they are lipophilic so that they can pass lipid barriers (membranes, skin etc.) in the body readily; glycerides of esterified, aminated or etherified bioactives; side effect reduction SCOTIA HOLDINGS PLC (GB) 2003-04-29 US disclosed
EP-0823889-B1 1,3-PROPANE DIOL DERIVATIVES AS BIOACTIVE COMPOUNDS SCARISTA LTD (GB) 2002-09-18 EP disclosed
US-6015821-A SKIN, PSYCHOLOGICAL AND CARDIOVASCULAR DISORDERS; ANTICARCINOGENIC, ANTIINFLAMMATORY AND ANTIDIABETIC AGENTS SCARISTA LIMITED (IM) 2000-01-18 US disclosed
EP-0823897-A1 NICOTINIC ACID ESTERS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCOTIA HOLDINGS PLC (GB) 1998-02-18 EP disclosed
EP-0823889-A1 1,3-PROPANE DIOL DERIVATIVES AS BIOACTIVE COMPOUNDS SCOTIA HOLDINGS PLC (GB) 1998-02-18 EP disclosed
WO-1996034846-A1 1,3-PROPANE DIOL DERIVATIVES AS BIOACTIVE COMPOUNDS SCOTIA HOLDINGS PLC (GB) 1996-11-07 WO disclosed
WO-1996034858-A1 NICOTINIC ACID ESTERS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCOTIA HOLDINGS PLC (GB) 1996-11-07 WO disclosed