SCHEMBL29954506

SCHEMBL29954506

OCc1cccc(B(O)O)c1F

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.40
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
ENPP2 Q13822 2/20 0.35
APOBEC3G Q9HC16 1/20 0.34
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
LIPE Q05469 1/20 0.32
LRRK2 Q5S007 1/20 0.32
NR4A2 P43354 1/20 0.31
PDK2 Q15119 1/20 0.31

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
SCHEMBL18706647 1.00 LIPG (0.40) LIPGPDCD1CD274ENPP2APOBEC3G
SCHEMBL17236536 0.83 LIPG (0.40) LIPGENPP2GABRA1GABRB2LIPE
SCHEMBL15536431 0.83 GABRA1 (0.46) LIPGGABRA1GABRB2PDK2
SCHEMBL9939108 0.83 LIPG (0.40) LIPGENPP2
Hydrochloric Acid SCHEMBL16396387 0.82 F11 (0.41) LIPGENPP2
SCHEMBL25745449 0.79 ENPP2 (0.42) LIPGENPP2LIPE
SCHEMBL16961227 0.79 APOBEC3G (0.44) PDCD1CD274APOBEC3GGABRA1GABRB2
SCHEMBL8530 0.78 LIPG (0.55) LIPGPDCD1CD274ENPP2APOBEC3G
SCHEMBL29377890 0.78 LIPG (0.55) LIPGPDCD1CD274ENPP2APOBEC3G
SCHEMBL25880887 0.77 LIPG (0.36) LIPG

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