SCHEMBL28301429

SCHEMBL28301429

CCCCCC(CC(=O)OCCCCCC(C)C)C(=O)OCCCCCC(C)C

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.50
NPSR1 Q6W5P4 2/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RAD52 P43351 1/20 0.44
FAAH O00519 1/20 0.43
DGKA P23743 1/20 0.42
HTR2C P28335 1/20 0.42
EPHX1 P07099 1/20 0.40
CA2 P00918 1/20 0.40
TSHR P16473 2/20 0.39
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
ZDHHC7 Q9NXF8 1/20 0.38
BIRC2 Q13490 2/20 0.38

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
SCHEMBL27622653 1.00 NAAA (0.50) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL27603893 1.00 NAAA (0.50) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL27521371 1.00 NAAA (0.50) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL27603897 1.00 NAAA (0.50) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL28093014 0.97 NAAA (0.46) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL27604021 0.97 NAAA (0.46) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL11799553 0.94 NAAA (0.56) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL19023202 0.94 NAAA (0.56) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL19023314 0.94 NAAA (0.56) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL28622505 0.94 NAAA (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109923170-A Concentrate composition and polypropylene resin composite comprising the concentrate composition 胜亚诺盟股份有限公司 2019-06-21 CN disclosed