SCHEMBL5696754

SCHEMBL5696754

O=C(CO)OCCCCCCOC(=O)CO

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.52
TSHR P16473 3/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
RAD52 P43351 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
FAAH O00519 1/20 0.42
DGKA P23743 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39
EPHX1 P07099 1/20 0.38
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.37
BLM P54132 1/20 0.37
ACHE P22303 4/20 0.37

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
SCHEMBL31092629 1.00 NAAA (0.52) NAAATSHRALDH1A1CYP3A4RAD52
SCHEMBL423033 1.00 NAAA (0.52) NAAATSHRALDH1A1CYP3A4RAD52
SCHEMBL7755273 0.97 NAAA (0.50) NAAATSHRALDH1A1CYP3A4RAD52
SCHEMBL11651701 0.97 NAAA (0.48) NAAATSHRALDH1A1CYP3A4RAD52
SCHEMBL29040267 0.92 NAAA (0.46) NAAATSHRALDH1A1CYP3A4RAD52
SCHEMBL27942783 0.92 NAAA (0.46) NAAATSHRALDH1A1CYP3A4RAD52
SCHEMBL27145454 0.91 NAAA (0.42) NAAATSHRALDH1A1CYP3A4RAD52
SCHEMBL29090831 0.90 NAAA (0.45) NAAATSHRALDH1A1CYP3A4RAD52
SCHEMBL9841033 0.88 NAAA (0.41) NAAATSHRALDH1A1CYP3A4RAD52
SCHEMBL9841025 0.88 NAAA (0.41) NAAATSHRALDH1A1CYP3A4RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3560934-A1 PROCESS FOR THE PREPARATION OF PURE 2-CYANOPHENYLBORONIC ACID AND ESTERS THEREOF, INTERMEDIATES OF PERAMPANEL OR OF E2040 F.I.S.- Fabbrica Italiana Sintetici S.p.A. (IT) 2019-10-30 EP claimed
EP-0957895-A4 SHAVING COMPOSITION AND METHOD FOR PREVENTING PSEUDOFOLLICULITIS BARBAE WILLIS ISAAC (US) 2000-04-05 EP claimed
EP-0957895-A1 SHAVING COMPOSITION AND METHOD FOR PREVENTING PSEUDOFOLLICULITIS BARBAE Willis, Isaac (US) 1999-11-24 EP claimed
WO-1998025581-A1 SHAVING COMPOSITION AND METHOD FOR PREVENTING PSEUDOFOLLICULITIS BARBAE JOHNSON PRODUCTS CO (US) 1998-06-18 WO claimed
EP-3560934-A1 PROCESS FOR THE PREPARATION OF PURE 2-CYANOPHENYLBORONIC ACID AND ESTERS THEREOF, INTERMEDIATES OF PERAMPANEL OR OF E2040 F.I.S.- Fabbrica Italiana Sintetici S.p.A. (IT) 2019-10-30 EP disclosed
EP-1118644-B1 Hot melt printing ink SIEGWERK DRUCKFARBEN AG (DE) 2006-06-14 EP disclosed
EP-1118644-A2 Hot melt printing ink Siegwerk Druckfarben GmbH & Co. KG (DE) 2001-07-25 EP disclosed
EP-0957895-A4 SHAVING COMPOSITION AND METHOD FOR PREVENTING PSEUDOFOLLICULITIS BARBAE WILLIS ISAAC (US) 2000-04-05 EP disclosed
EP-0957895-A1 SHAVING COMPOSITION AND METHOD FOR PREVENTING PSEUDOFOLLICULITIS BARBAE Willis, Isaac (US) 1999-11-24 EP disclosed
WO-1998025581-A1 SHAVING COMPOSITION AND METHOD FOR PREVENTING PSEUDOFOLLICULITIS BARBAE JOHNSON PRODUCTS CO (US) 1998-06-18 WO disclosed