SCHEMBL29957545

SCHEMBL29957545

CCCC1CCN(Cc2cccc(B(O)O)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.47
LIPG Q9Y5X9 2/20 0.47
ACHE P22303 6/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
BCHE P06276 1/20 0.43
ENPP2 Q13822 1/20 0.43

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
SCHEMBL26488577 0.83 ACHE (0.59) LPLLIPGACHEKDM4EHRH3
SCHEMBL29952563 0.83 ACHE (0.47) LPLLIPGACHEMEN1KMT2A
SCHEMBL29955859 0.81 LPL (0.51) LPLLIPGKDM4EALDH1A1ENPP2
SCHEMBL29953904 0.81 KDM4E (0.45) LPLLIPGKDM4EALDH1A1MAPT
SCHEMBL29957623 0.80 PARP1 (0.45) LPLLIPGACHEMEN1KMT2A
SCHEMBL11916758 0.79 DRD2 (0.52) ACHEMEN1KMT2AKDM4EALDH1A1
SCHEMBL1724355 0.78 SMN1; SMN2 (0.60) LPLLIPGKDM4EALDH1A1GAA
SCHEMBL69200 0.78 CCR3 (0.67) ACHEALDH1A1HRH3BCHE
SCHEMBL3666137 0.77 MC4R (0.57) LPLLIPGKDM4EALDH1A1MAPT
SCHEMBL29955283 0.77 SMN1; SMN2 (0.63) KDM4EALDH1A1GAAHTTHRH3

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