SCHEMBL29954904

SCHEMBL29954904

OB(O)c1cc(OC(F)(F)F)ccc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 5/20 0.42
WDR5 P61964 1/20 0.40
ABL1 P00519 1/20 0.37
LMNA P02545 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
MAPT P10636 2/20 0.37
EPHX2 P34913 1/20 0.37
P2RX1 P51575 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KIF11 P52732 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
AURKA O14965 1/20 0.36
TPX2 Q9ULW0 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
PIM1 P11309 1/20 0.36
ADORA2A P29274 1/20 0.36

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
SCHEMBL326214 1.00 GPR3 (0.42) GPR3WDR5ABL1LMNANR1H2
SCHEMBL28961819 0.87 GPR3 (0.43) GPR3WDR5ABL1MAPTEPHX2
SCHEMBL257822 0.81 GPR3 (0.42) GPR3ABL1MAPTEPHX2L3MBTL1
SCHEMBL29957379 0.81 GPR3 (0.42) GPR3ABL1LMNAMAPTEPHX2
SCHEMBL3993839 0.80 FFAR4 (0.41) GPR3ABL1FFAR4
SCHEMBL29554405 0.80 FFAR4 (0.41) GPR3ABL1FFAR4
SCHEMBL320667 0.79 TUBB4A (0.46) GPR3ABL1FFAR4
SCHEMBL29956393 0.79 TUBB4A (0.46) GPR3ABL1FFAR4
SCHEMBL24445841 0.78 GPR3 (0.48) GPR3WDR5LMNAMAPTEPHX2
SCHEMBL769093 0.78 GPR3 (0.42) GPR3ABL1MAPTEPHX2L3MBTL1

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