SCHEMBL29951579

SCHEMBL29951579

CCCCN(CC)Cc1cc(B(O)O)ccc1OC

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.47
BCHE P06276 11/20 0.47
APP P05067 3/20 0.43
MAOB P27338 2/20 0.42
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL29954950 0.86 HTR1A (0.42) BCHEAPPPKMALOX15
SCHEMBL29952179 0.81 CHRM2 (0.50) ACHEBCHEAPPMAOB
SCHEMBL29950621 0.81 PKM (0.44) ACHEBCHEAPPMAOBPKM
SCHEMBL29951295 0.78 ACHE (0.47) ACHEBCHE
SCHEMBL18706356 0.76 ALDH1A1 (0.54)
SCHEMBL21396 0.76 ENPP2 (0.44)
SCHEMBL29953347 0.76 BCHE (0.41) ACHEBCHEAPPPKMALOX15
SCHEMBL29951283 0.74 ALDH1A1 (0.43) ALOX15
SCHEMBL29954575 0.73 CHRM2 (0.47) ACHEBCHEAPPMAOB
SCHEMBL29953874 0.73 LPL (0.41)

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed