SCHEMBL27700355

SCHEMBL27700355

NCC(=O)OCCCCO

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.44
ACHE P22303 6/20 0.40
NAAA Q02083 1/20 0.40
GAA P10253 1/20 0.38
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
FAAH O00519 1/20 0.33
APP P05067 2/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
LOX P28300 1/20 0.32
AOC3 Q16853 1/20 0.32
GPR84 Q9NQS5 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
SCHEMBL28973861 0.98 HTR2C (0.47) HTR2CACHENAAAGAARAD52
SCHEMBL7789334 0.93
SCHEMBL28157709 0.91 HTR2C (0.40) HTR2CACHENAAAGAARAD52
SCHEMBL28913002 0.91 HTR2C (0.40) HTR2CACHENAAAGAARAD52
Hydrochloric Acid SCHEMBL28067281 0.91 HTR2C (0.40) HTR2CACHENAAAGAARAD52
SCHEMBL6682800 0.90 HTR2C (0.50) HTR2CNAAARAD52NPSR1ALDH1A1
SCHEMBL28973867 0.87 FAAH (0.45) HTR2CACHENAAAALDH1A1FAAH
Hydrochloric Acid SCHEMBL11847967 0.85 HTR2C (0.52) HTR2CACHENAAARAD52NPSR1
SCHEMBL5496994 0.85 HTR2C (0.45) HTR2CNAAARAD52NPSR1ALDH1A1
SCHEMBL18249514 0.83 HTR2C (0.46) HTR2CNAAARAD52NPSR1ALDH1A1

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-100379756-C Polyamid-oligonucleotide derivative, preparation and application of same HOECHST AG (DE) 2008-04-09 CN disclosed