SCHEMBL29954450

SCHEMBL29954450

CCCN(CCC)CCOc1ccc(B(O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.48
ACHE P22303 2/20 0.48
EBP Q15125 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ENPP2 Q13822 1/20 0.44
MCHR1 Q99705 1/20 0.43
CYP1A2 P05177 1/20 0.43
LTA4H P09960 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
LPL P06858 1/20 0.42
LIPG Q9Y5X9 1/20 0.42

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
SCHEMBL29957821 0.88 EBP (0.61) EBPSIGMAR1MCHR1CYP1A2LTA4H
SCHEMBL3698312 0.85 THRA (0.52) BCHECA1CA2
SCHEMBL2562404 0.84 ESR1 (0.51) EBPSIGMAR1ESR1ESR2
SCHEMBL2552678 0.83 EBP (0.51) EBPSIGMAR1CA1CA2ENPP2
SCHEMBL623764 0.82 CA1 (0.57) CA1CA2ENPP2LTA4HLPL
SCHEMBL257577 0.82 LTA4H (0.55) CA1CA2ENPP2LTA4HCYP2C9
SCHEMBL2556724 0.81 ESR1 (0.40) EBPSIGMAR1CA1CA2ENPP2
SCHEMBL29951803 0.81 ENPP2 (0.50) BCHEACHEENPP2ESR1LPL
SCHEMBL1020230 0.81 HRH3 (0.58) EBPSIGMAR1CA1CA2ENPP2
SCHEMBL15329753 0.80 EBP (0.49) EBPSIGMAR1MCHR1CYP1A2LTA4H

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