SCHEMBL4807469

SCHEMBL4807469

CCCCCC=CCC=CCC=CCCCCC(=O)OCCCO

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.81
CNR1 P21554 3/20 0.69
ALDH1A1 P00352 3/20 0.69
MAPT P10636 2/20 0.69
THRB P10828 1/20 0.69
FAAH O00519 3/20 0.60
CNR2 P34972 2/20 0.58
CYP3A4 P08684 1/20 0.57
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
HPGD P15428 1/20 0.57
FFAR1 O14842 2/20 0.57
ESR1 P03372 1/20 0.57
F7 P08709 1/20 0.57
F3 P13726 1/20 0.57
PTGS1 P23219 1/20 0.57
SRD5A2 P31213 1/20 0.57
PPARG P37231 1/20 0.57

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
SCHEMBL4807460 1.00 MGLL (0.81) MGLLCNR1ALDH1A1MAPTTHRB
SCHEMBL8704825 1.00 MGLL (0.81) MGLLCNR1ALDH1A1MAPTTHRB
SCHEMBL17558128 0.98 MGLL (0.78) MGLLCNR1ALDH1A1MAPTTHRB
SCHEMBL3660036 0.98 MGLL (0.78) MGLLCNR1ALDH1A1MAPTTHRB
SCHEMBL3660645 0.97 MGLL (0.86) MGLLCNR1ALDH1A1MAPTTHRB
SCHEMBL3660643 0.97 MGLL (0.86) MGLLCNR1ALDH1A1MAPTTHRB
SCHEMBL4812727 0.94 MGLL (0.76) MGLLCNR1ALDH1A1MAPTTHRB
SCHEMBL11231403 0.94 MGLL (0.76) MGLLCNR1ALDH1A1MAPTTHRB
SCHEMBL4812731 0.94 MGLL (0.76) MGLLCNR1ALDH1A1MAPTTHRB
SCHEMBL8017799 0.94 MGLL (0.76) MGLLCNR1ALDH1A1MAPTTHRB

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 9 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-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