SCHEMBL29952776

SCHEMBL29952776

O=C(Nc1ccc(F)c(B(O)O)c1)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.56
TP53 P04637 2/20 0.54
MAPT P10636 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
ATM Q13315 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
POLB P06746 1/20 0.52
ENPP2 Q13822 2/20 0.51
ROCK2 O75116 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.49
PTPN1 P18031 1/20 0.48
KDM1A O60341 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48

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
SCHEMBL29435821 0.90 MGLL (0.56) MGLLTP53MAPTNPC1RAB9A
SCHEMBL2174663 0.90 MGLL (0.56) MGLLTP53MAPTNPC1RAB9A
SCHEMBL3782019 0.86 MGLL (0.58) MGLLTP53MAPTNPC1RAB9A
SCHEMBL3792767 0.83 MGLL (0.61) MGLLTP53MAPTNPC1RAB9A
SCHEMBL12496697 0.82 MGLL (0.56) MGLLTP53MAPTNPC1RAB9A
SCHEMBL29952692 0.82 MGLL (0.56) MGLLTP53MAPTNPC1RAB9A
SCHEMBL13529198 0.82 MGLL (0.59) MGLLTP53MAPTNPC1RAB9A
SCHEMBL591401 0.82 MGLL (0.59) MGLLTP53MAPTNPC1RAB9A
SCHEMBL12892589 0.80 MGLL (0.60) MGLLTP53MAPTNPC1RAB9A
SCHEMBL3758290 0.80 MGLL (0.60) MGLLTP53MAPTNPC1RAB9A

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