SCHEMBL6663377

SCHEMBL6663377

C=C(C(=O)O)C(=O)OCCCCCCCCCC

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.67
RAD52 P43351 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
NAAA Q02083 1/20 0.52
HCAR2 Q8TDS4 2/20 0.49
EPHX1 P07099 1/20 0.48
FAAH O00519 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
ACHE P22303 6/20 0.43
DGKA P23743 1/20 0.42
HTR2C P28335 1/20 0.42

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
SCHEMBL31622785 1.00 TSHR (0.67) TSHRRAD52NPSR1NAAAHCAR2
SCHEMBL6663986 1.00 TSHR (0.67) TSHRRAD52NPSR1NAAAHCAR2
SCHEMBL5050880 1.00 TSHR (0.67) TSHRRAD52NPSR1NAAAHCAR2
SCHEMBL6656362 1.00 TSHR (0.67) TSHRRAD52NPSR1NAAAHCAR2
SCHEMBL2522294 0.98 TSHR (0.63) TSHRRAD52NPSR1NAAAHCAR2
SCHEMBL6655862 0.92 TSHR (0.55) TSHRRAD52NPSR1NAAAHCAR2
SCHEMBL28193251 0.92 TSHR (0.57) TSHRRAD52NPSR1NAAAHCAR2
SCHEMBL6658710 0.90 TSHR (0.74) TSHRRAD52NPSR1NAAAHCAR2
SCHEMBL5871868 0.90 TSHR (0.74) TSHRRAD52NPSR1NAAAHCAR2
SCHEMBL6656457 0.90 TSHR (0.74) TSHRRAD52NPSR1NAAAHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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