SCHEMBL29954989

SCHEMBL29954989

COCCCN(C)Cc1ccc(B(O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPL P06858 6/20 0.42
LIPG Q9Y5X9 6/20 0.42
LMNA P02545 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
MLNR O43193 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
MGLL Q99685 1/20 0.39
KCNH2 Q12809 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ENPP2 Q13822 1/20 0.38
SMPD1 P17405 1/20 0.37

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
SCHEMBL29951479 0.82 ENPP2 (0.49) LPLLIPGLMNABCHEACHE
SCHEMBL2557697 0.79 FDPS (0.47) CA1CA2KCNH2ENPP2
SCHEMBL8265247 0.79 MEN1 (0.47) LPLLIPGCA1CA2MEN1
SCHEMBL5209926 0.79 MAPT (0.46) LMNABCHEACHEMLNRL3MBTL1
SCHEMBL29951258 0.79 OPRM1 (0.46) BCHEACHEMEN1KMT2ASIGMAR1
SCHEMBL29957562 0.79 L3MBTL1 (0.41) LMNABCHEACHEMLNRL3MBTL1
SCHEMBL29954575 0.79 CHRM2 (0.47) BCHEACHEMEN1KMT2A
SCHEMBL11795494 0.78 LMNA (0.62) LMNAL3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL29951863 0.77 ALDH1A1 (0.40) ACHEL3MBTL1MEN1KMT2A
SCHEMBL20548501 0.75 LPL (0.46) LPLLIPGCA1CA2MEN1

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