SCHEMBL28565358

SCHEMBL28565358

CCCCCCOC(=O)C[C@@H](C(=O)OCCCCCC)N(N)N

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.53
HTR2C P28335 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RAD52 P43351 1/20 0.46
FAAH O00519 2/20 0.45
DGKA P23743 1/20 0.44
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
EPHX1 P07099 1/20 0.42
DNM1 Q05193 1/20 0.41
TSHR P16473 2/20 0.41
HCAR2 Q8TDS4 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
SCHEMBL3110769 0.83 NAAA (0.47) NAAAHTR2CNPSR1MAPTRAD52
SCHEMBL9718427 0.78 NAAA (0.58) NAAAHTR2CNPSR1MAPTMAPK1
SCHEMBL2279553 0.78 NAAA (0.58) NAAAHTR2CNPSR1MAPTMAPK1
SCHEMBL2283589 0.78 NAAA (0.58) NAAAHTR2CNPSR1MAPTMAPK1
SCHEMBL9442151 0.78 NAAA (0.58) NAAAHTR2CNPSR1MAPTMAPK1
SCHEMBL2279558 0.78 NAAA (0.58) NAAAHTR2CNPSR1MAPTMAPK1
SCHEMBL2983597 0.78 NAAA (0.58) NAAAHTR2CNPSR1MAPTMAPK1
SCHEMBL2283336 0.78 NAAA (0.58) NAAAHTR2CNPSR1MAPTMAPK1
SCHEMBL2981700 0.78 NAAA (0.58) NAAAHTR2CNPSR1MAPTMAPK1
SCHEMBL17231345 0.78 NAAA (0.58) NAAAHTR2CNPSR1MAPTMAPK1

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
CN-112675314-B Bone-targeting nano micelle delivery system and preparation method thereof 中国药科大学 2023-02-24 CN disclosed
CN-112675314-A Bone-targeting nano micelle delivery system and preparation method thereof 中国药科大学 2021-04-20 CN disclosed