SCHEMBL18179724

SCHEMBL18179724

CC(C)CC(=O)OCCCCOC(=O)CC(C)S

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.39
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RAD52 P43351 1/20 0.34
PRKCA P17252 1/20 0.34
FAAH O00519 1/20 0.33
DPP4 P27487 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL98110 0.94 NAAA (0.43) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL98429 0.92 NAAA (0.47) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL1756096 0.92 NAAA (0.47) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL96745 0.92 NAAA (0.47) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL97896 0.92 NAAA (0.47) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL607473 0.90 NAAA (0.39) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL29523753 0.87 NAAA (0.40) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL28042741 0.86 ACHE (0.39) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL19611359 0.86 ALDH1A1 (0.39) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL100193 0.85 DGKA (0.37) NAAANPSR1MAPTMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957376-B2 Optical material composition and use thereof ETERNAL MATERIALS CO., LTD. (TW) 2018-05-01 US disclosed
US-20160312009-A1 OPTICAL MATERIAL COMPOSITION AND USE THEREOF ETERNAL MATERIALS CO., LTD. (TW) 2016-10-27 US disclosed