SCHEMBL9566878

SCHEMBL9566878

COCCCNC(=O)Oc1ccnc(COC(=O)NC2CCCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.42
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
EPHX1 P07099 2/20 0.40
FAAH O00519 1/20 0.40
LNPEP Q9UIQ6 1/20 0.40

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
SCHEMBL9566818 0.82 ALDH1A1 (0.44) LNPEP
SCHEMBL9566743 0.78 ALDH1A1 (0.44) LNPEP
Hydrochloric Acid SCHEMBL9566744 0.77 ALDH1A1 (0.43) SMN1; SMN2LMNALNPEP
SCHEMBL9566834 0.76 LOXL2 (0.41)
SCHEMBL9566730 0.75 KDM4E (0.45) LMNALNPEP
SCHEMBL9566858 0.74 HPGD (0.43) SMN1; SMN2
SCHEMBL9566774 0.74 SMN1; SMN2 (0.39) SMN1; SMN2
SCHEMBL9566886 0.72 MEN1 (0.41) SMN1; SMN2LMNA
SCHEMBL9566810 0.71 LOXL2 (0.41) SMN1; SMN2
SCHEMBL9706016 0.71 ALDH1A1 (0.43) SMN1; SMN2LMNA

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
EP-0533130-A1 2-Hydroxymethylpyridines, the corresponding pyridine-N-oxides and derivatives thereof, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-03-24 EP disclosed