SCHEMBL13601679

SCHEMBL13601679

CCCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCCC)C(C(=O)OCCCCCCCCCCCCC)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NAAA Q02083 1/20 0.37
PRKCA P17252 6/20 0.35
EPHX2 P34913 3/20 0.34
RAD52 P43351 1/20 0.33
FAAH O00519 1/20 0.33
GBA2 Q9HCG7 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL379498 0.90 NPSR1 (0.40) NPSR1MAPTMAPK1L3MBTL1NAAA
SCHEMBL537282 0.90 NPSR1 (0.42) NPSR1MAPTMAPK1L3MBTL1NAAA
SCHEMBL1310194 0.90 NAAA (0.41) NPSR1MAPTMAPK1L3MBTL1NAAA
SCHEMBL373323 0.88 NPSR1 (0.39) NPSR1MAPTMAPK1L3MBTL1NAAA
SCHEMBL14840402 0.88 NPSR1 (0.39) NPSR1MAPTMAPK1L3MBTL1NAAA
SCHEMBL7565413 0.88 NPSR1 (0.39) NPSR1MAPTMAPK1L3MBTL1NAAA
SCHEMBL13601677 0.88 NPSR1 (0.37) NPSR1MAPTMAPK1L3MBTL1NAAA
SCHEMBL9355913 0.88 NPSR1 (0.38) NPSR1MAPTMAPK1L3MBTL1NAAA
SCHEMBL8998749 0.87 EPHX2 (0.37) NPSR1MAPTMAPK1L3MBTL1NAAA
SCHEMBL13601678 0.86 NPSR1 (0.38) NPSR1MAPTMAPK1L3MBTL1NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8830811-B2 Resin composition and optical component MITSUI CHEMICALS, INC. (JP) 2014-09-09 US disclosed
US-8830811-B2 Resin composition and optical component MITSUI CHEMICALS, INC. (JP) 2014-09-09 US disclosed
US-20090310471-A1 Resin composition and optical component MITSUI CHEMICALS, INC. (JP) 2009-12-17 US disclosed