SCHEMBL29951479

SCHEMBL29951479

COCCCN(C)Cc1cccc(B(O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.49
LPL P06858 2/20 0.46
LIPG Q9Y5X9 2/20 0.46
ACHE P22303 7/20 0.44
BCHE P06276 4/20 0.43
LMNA P02545 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 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
SCHEMBL29954989 0.82 LPL (0.42) ENPP2LPLLIPGACHEBCHE
SCHEMBL29956793 0.81 ENPP2 (0.52) ENPP2LPLLIPGTSHR
SCHEMBL535057 0.79 LPL (0.66) ENPP2LPLLIPG
SCHEMBL19492821 0.79 ENPP2 (0.56) ENPP2LPLLIPGACHE
SCHEMBL29951863 0.78 ALDH1A1 (0.40) ACHEL3MBTL1
SCHEMBL2562067 0.78 ENPP2 (0.49) ENPP2
SCHEMBL12992972 0.78 PYCR1 (0.54) ACHEBCHELMNASIGMAR1
SCHEMBL6353060 0.77 ENPP2 (0.55) ENPP2LPLLIPGACHELMNA
SCHEMBL11795494 0.77 LMNA (0.62) LMNASIGMAR1L3MBTL1TSHR
SCHEMBL29951258 0.77 OPRM1 (0.46) ACHEBCHESIGMAR1

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