SCHEMBL28064054

SCHEMBL28064054

CCCCCCCCCCCCCCCCCCCC1OC1C(=O)OCCCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.46
EPHX1 P07099 1/20 0.43
TSHR P16473 3/20 0.42
PPARG P37231 3/20 0.40
HCAR2 Q8TDS4 1/20 0.40
RAD52 P43351 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
FAAH O00519 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL27977118 1.00 NAAA (0.46) NAAAEPHX1TSHRPPARGHCAR2
SCHEMBL538472 1.00 NAAA (0.46) NAAAEPHX1TSHRPPARGHCAR2
SCHEMBL538751 1.00 NAAA (0.46) NAAAEPHX1TSHRPPARGHCAR2
SCHEMBL27976753 1.00 NAAA (0.46) NAAAEPHX1TSHRPPARGHCAR2
SCHEMBL1332659 1.00 NAAA (0.46) NAAAEPHX1TSHRPPARGHCAR2
SCHEMBL11396662 1.00 NAAA (0.46) NAAAEPHX1TSHRPPARGHCAR2
SCHEMBL538424 0.97 NAAA (0.42) NAAAEPHX1TSHRPPARGALDH1A1
SCHEMBL4732664 0.97 NAAA (0.42) NAAAEPHX1TSHRPPARGALDH1A1
SCHEMBL27976763 0.93 PPM1B (0.43) NAAAEPHX1TSHRSPHK2SPHK1
SCHEMBL11395948 0.91 NAAA (0.39) NAAAEPHX1TSHRPPARG

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-104693709-B A kind of polylactic acid/Polycarbonate alloy material printed for 3D and preparation method thereof 华南协同创新研究院 2016-08-24 CN disclosed