SCHEMBL29951803

SCHEMBL29951803

CCCN(CCC)CCOc1cccc(B(O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.50
KDM4E B2RXH2 3/20 0.47
TSHR P16473 1/20 0.47
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
ESR1 P03372 2/20 0.43
BCHE P06276 2/20 0.41
ACHE P22303 1/20 0.41
LPL P06858 2/20 0.41
LIPG Q9Y5X9 2/20 0.41
KMT2A Q03164 1/20 0.40
FDPS P14324 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL29951590 0.90 KDM4E (0.58) ENPP2KDM4ETSHRESR1KMT2A
SCHEMBL2559125 0.86 TSHR (0.52) ENPP2KDM4ETSHRESR1LPL
SCHEMBL2551679 0.85 ENPP2 (0.50) ENPP2KDM4ETSHRCHRNB2CHRNA4
SCHEMBL7992 0.84 ENPP2 (0.59) ENPP2KDM4ETSHRLPLLIPG
SCHEMBL2561927 0.83 ENPP2 (0.45) ENPP2KDM4ETSHRCHRNB2CHRNA4
SCHEMBL3652437 0.83 CHRNB2 (0.64) ENPP2KDM4ECHRNB2CHRNA4ESR1
SCHEMBL177358 0.83 ENPP2 (0.58) ENPP2TSHRLPLLIPG
SCHEMBL2552738 0.82 KDM4E (0.54) ENPP2KDM4ETSHRCHRNB2CHRNA4
SCHEMBL29954521 0.81 LPL (0.57) ENPP2TSHRLPLLIPGKMT2A
SCHEMBL29954450 0.81 BCHE (0.48) ENPP2ESR1BCHEACHELPL

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