SCHEMBL9420717

SCHEMBL9420717

CCCC(=O)OCCCCCCS

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.53
DGKA P23743 1/20 0.53
HTR2C P28335 1/20 0.51
DNM1 Q05193 1/20 0.49
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
RAD52 P43351 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FAAH O00519 1/20 0.44
ALDH1A1 P00352 1/20 0.43
EPHX1 P07099 1/20 0.41
ACHE P22303 2/20 0.40
PAM P19021 2/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL9420754 1.00 NAAA (0.53) NAAADGKAHTR2CDNM1PRSS1
SCHEMBL2877938 0.98 NAAA (0.50) NAAADGKAHTR2CDNM1PRSS1
SCHEMBL2871598 0.92 DGKA (0.52) NAAADGKAHTR2CDNM1PRSS1
SCHEMBL9420819 0.90 DGKA (0.62) NAAADGKAHTR2CDNM1PRSS1
SCHEMBL19733720 0.90 NAAA (0.50) NAAADGKAHTR2CDNM1PRSS1
Pentane-1,5-Dibutanoate SCHEMBL15705199 0.89 NAAA (0.64) NAAADGKAHTR2CDNM1PRSS1
SCHEMBL420094 0.89 NAAA (0.64) NAAADGKAHTR2CDNM1PRSS1
SCHEMBL10961476 0.89 DGKA (0.71) NAAADGKAHTR2CDNM1PRSS1
SCHEMBL9420809 0.89 DGKA (0.71) NAAADGKAHTR2CDNM1PRSS1
SCHEMBL2864347 0.89 DGKA (0.71) NAAADGKAHTR2CDNM1PRSS1

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-20150021528-A1 SOLUBLE FUNCTIONALIZED NANOPARTICLES FOR USE IN OPTICAL MATERIALS STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF UNIVERSITY (US) 2015-01-22 US claimed
CN-113950465-B Sandalwood type spice compound 西姆莱斯股份公司 2024-09-20 CN disclosed
WO-2024054529-A1 CITRUS MODIFIER COMPOUNDS IN CANNABIS ABSTRAX TECH INC. (US) 2024-03-14 WO disclosed
CN-113950465-A Fragrance compound of sandalwood type 西姆莱斯股份公司 2022-01-18 CN disclosed
EP-3612620-A1 4-ETHYL-OCTENE-2/3-NITRILE AS A FRAGRANCE Symrise AG (DE) 2020-02-26 EP disclosed
EP-3601510-A1 2,3,6-TRIMETHYLCYCLOHEXANOL AS A SCENTING AND/OR FLAVORING AGENT Symrise AG (DE) 2020-02-05 EP disclosed
EP-3601508-A1 5-BICYCLO[2.2.1]HEPT-2-ENYL-ACETATE AS A SCENTING AND/OR FLAVORING AGENT Symrise AG (DE) 2020-02-05 EP disclosed
US-9513406-B2 Soluble functionalized nanoparticles for use in optical materials UNIVERSITY OF OREGON (US) 2016-12-06 US disclosed
US-20150021528-A1 SOLUBLE FUNCTIONALIZED NANOPARTICLES FOR USE IN OPTICAL MATERIALS STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF UNIVERSITY (US) 2015-01-22 US disclosed
US-20150023643-A1 GRADIENT OPTICAL POLYMER NANOCOMPOSITES State of Oregon acting by and through the State Board of Higher Education on behalf of the Univers (US) 2015-01-22 US disclosed
US-5354800-A Emulsion polymerization of addition monomers with hydrophilic and hydrophobic chain transfer agent TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-10-11 US disclosed