SCHEMBL11020404

SCHEMBL11020404

C=CCN(CCCCCC1(O)c2ccccc2-c2ccccc21)C(=O)CC

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
LSS P48449 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
LMNA P02545 1/20 0.34
PDK2 Q15119 5/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
MAPT P10636 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
SCHEMBL11235692 0.74 KDM4E (0.43) POLBKDM4EPKMLMNAPDK2
SCHEMBL20274372 0.72 ZDHHC20 (0.47)
SCHEMBL20274387 0.71 ALDH1A1 (0.44) LSSKDM4ELMNAMAPT
SCHEMBL8033183 0.70 ALDH1A1 (0.47) MAPT
SCHEMBL17445904 0.70 PDK2 (0.46) POLBKDM4EPKMLMNAPDK2
SCHEMBL11091963 0.70 GAA (0.44) KDM4EPKMLMNA
SCHEMBL7322958 0.67 CYP1A2 (0.45) POLBKDM4EPKMLMNAPDK2
SCHEMBL9067643 0.67 HPGD (0.52) LSS
SCHEMBL11090567 0.66 KDM4E (0.71) KDM4EPKMLMNAPDK2SLC6A2
SCHEMBL29161778 0.66 PDK2 (0.39) POLBKDM4EPKMLMNAPDK2

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
US-4508735-A ALSO ANESTHETIC ELI LILLY AND COMPANY (US) 1985-04-02 US disclosed