SCHEMBL21098795

SCHEMBL21098795

N=C1CCCCc2cc(OCCCC=O)ccc21

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 14/20 0.44
MAOA P21397 10/20 0.44
HRH3 Q9Y5N1 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38

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
SCHEMBL21098941 0.77 MAOA (0.49) MAOBMAOAPPARGPPARD
SCHEMBL21098792 0.75 BRD4 (0.41) MAOBMAOAHRH3PPARGPPARD
SCHEMBL20031909 0.71 MAOB (0.43) MAOBMAOAHRH3PPARD
SCHEMBL4522757 0.70 MAOB (0.63) MAOBMAOAHRH3
SCHEMBL12654036 0.68 CYP19A1 (0.51)
SCHEMBL12051785 0.68 DRD2 (0.54) SMN1; SMN2PPARGPPARD
SCHEMBL20031911 0.67 MAOB (0.41) MAOBMAOAHRH3PPARD
SCHEMBL28039297 0.67 HRH3 (0.51) MAOBMAOAHRH3PPARGPPARD
SCHEMBL8437045 0.66 MRGPRX4 (0.45) SMN1; SMN2PPARD
SCHEMBL9222772 0.66 MAOB (0.69) MAOBMAOAHRH3

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
WO-2019109188-A1 ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2019-06-13 WO disclosed