SCHEMBL6657722

SCHEMBL6657722

C=C(CC(=O)OCCCCCCC)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.58
FAAH O00519 2/20 0.57
TSHR P16473 2/20 0.53
EPHX1 P07099 1/20 0.50
RAD52 P43351 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
DGKA P23743 1/20 0.48
HTR2C P28335 1/20 0.47
HCAR2 Q8TDS4 1/20 0.46
ACHE P22303 6/20 0.44

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
SCHEMBL3284153 1.00 NAAA (0.58) NAAAFAAHTSHREPHX1RAD52
SCHEMBL6658555 1.00 NAAA (0.58) NAAAFAAHTSHREPHX1RAD52
SCHEMBL3681702 1.00 NAAA (0.58) NAAAFAAHTSHREPHX1RAD52
SCHEMBL2240975 1.00 NAAA (0.58) NAAAFAAHTSHREPHX1RAD52
SCHEMBL2518200 1.00 NAAA (0.58) NAAAFAAHTSHREPHX1RAD52
SCHEMBL8356331 1.00 NAAA (0.58) NAAAFAAHTSHREPHX1RAD52
SCHEMBL6340150 1.00 NAAA (0.58) NAAAFAAHTSHREPHX1RAD52
SCHEMBL28441542 0.98 NAAA (0.56) NAAAFAAHTSHREPHX1RAD52
SCHEMBL1345366 0.98 NAAA (0.55) NAAAFAAHTSHREPHX1RAD52
Itaconate SCHEMBL28623653 0.95 NAAA (0.53) NAAAFAAHTSHREPHX1RAD52

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
CN-110437581-B Multilayer core-shell particle toughened polymer composite material and preparation method thereof 江南大学 2021-09-28 CN disclosed
CN-110437377-B Bio-based core-shell particle and preparation method thereof 江南大学 2021-02-05 CN disclosed
WO-2020222011-A1 ITACONIC ACID DERIVATIVES AND USES THEREOF IN TREATING AN INFLAMMATORY DISEASE OR A DISEASE ASSOCIATED WITH AN UNDESIRABLE IMMUNE RESPONSE SITRYX THERAPEUTICS LIMITED (GB) 2020-11-05 WO disclosed
WO-2020222010-A1 ITACONIC ACID DERIVATIVES AND USES THEREOF IN TREATING AN INFLAMMATORY DISEASE OR A DISEASE ASSOCIATED WITH AN UNDESIRABLE IMMUNE RESPONSE SITRYX THERAPEUTICS LIMITED (GB) 2020-11-05 WO disclosed
CN-110437580-B Bio-based core-shell particle toughened polymer composite material and preparation method thereof 江南大学 2020-10-09 CN disclosed
EP-1123915-B1 Process for producing alpha, beta-unsaturated carboxylic acid esters and catalyst for use in such process NIPPON CATALYTIC CHEM IND (JP) 2004-07-28 EP disclosed
US-6541656-B2 Reacting an alpha, beta unsaturated carboxylic acid ester with a heterocyclic oxygen nitrogen, or sulfur compound NIPPON SHOKUBAI COMPANY, LTD. (JP) 2003-04-01 US disclosed
US-20010034300-A1 Reacting an alpha, beta unsaturated carboxylic acid ester with a heterocyclic oxygen nitrogen, or sulfur compound NIPPON SHOKUBAI COMPANY LTD. (JP) 2001-10-25 US disclosed
EP-1123915-A1 Process for producing alpha, beta-unsaturated carboxylic acid esters and catalyst for use in such process Nippon Shokubai Co., Ltd. (JP) 2001-08-16 EP disclosed