SCHEMBL28668294

SCHEMBL28668294

CC(NCCCCC1CCCCC1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.50
BCHE P06276 2/20 0.46
KDM5A P29375 3/20 0.42
PHF8 Q9UPP1 3/20 0.42
KDM2A Q9Y2K7 3/20 0.42
KDM4C Q9H3R0 2/20 0.42
KDM4A O75164 1/20 0.42
LTA4H P09960 1/20 0.42
EPHX1 P07099 2/20 0.41
CYP1A2 P05177 1/20 0.40
TP53 P04637 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
SCHEMBL4620611 0.88 BCHE (0.46) SIGMAR1BCHELTA4HEPHX1
SCHEMBL4623637 0.88 BCHE (0.46) SIGMAR1BCHELTA4HEPHX1
SCHEMBL4621464 0.88 BCHE (0.46) SIGMAR1BCHELTA4HEPHX1
Hydrochloric Acid SCHEMBL3175437 0.87 BCHE (0.45) SIGMAR1BCHELTA4HEPHX1
SCHEMBL10037102 0.81 SIGMAR1 (0.62) SIGMAR1BCHEEPHX1CYP1A2
SCHEMBL4620202 0.78 LTA4H (0.47) LTA4HEPHX1
SCHEMBL4619210 0.78 LTA4H (0.47) LTA4HEPHX1
SCHEMBL4620196 0.78 LTA4H (0.47) LTA4HEPHX1
SCHEMBL2804328 0.76 KDM4E (0.39) EPHX1TP53
SCHEMBL22413011 0.75 LTA4H (0.44) SIGMAR1LTA4HEPHX1

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-113677692-A Neurotensin agonists and methods of preventing or treating pain using the same 健康与人类科学公司 2021-11-19 CN disclosed