SCHEMBL29957484

SCHEMBL29957484

CCCCCCOc1ccccc1B(O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.56
LMNA P02545 2/20 0.55
MEN1 O00255 1/20 0.55
NR1I2 O75469 1/20 0.55
CHRM2 P08172 1/20 0.55
CYP3A4 P08684 1/20 0.55
ADRA2A P08913 1/20 0.55
MAPT P10636 1/20 0.55
OPRK1 P41145 1/20 0.55
HTR2B P41595 1/20 0.55
SLC6A3 Q01959 1/20 0.55
KMT2A Q03164 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
LIPE Q05469 1/20 0.54
ENPP2 Q13822 2/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CYSLTR2 Q9NS75 2/20 0.45
CYSLTR1 Q9Y271 2/20 0.45

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
SCHEMBL7632353 1.00 LIPG (0.56) LIPGLMNAMEN1NR1I2CHRM2
SCHEMBL14988714 1.00 LIPG (0.56) LIPGLMNAMEN1NR1I2CHRM2
SCHEMBL29953962 1.00 LIPG (0.56) LIPGLMNAMEN1NR1I2CHRM2
SCHEMBL29957829 1.00 LIPG (0.56) LIPGLMNAMEN1NR1I2CHRM2
SCHEMBL29954947 1.00 LIPG (0.56) LIPGLMNAMEN1NR1I2CHRM2
SCHEMBL29953651 0.98 LIPE (0.56) LIPGLMNAMEN1NR1I2CHRM2
SCHEMBL1660589 0.93 LIPE (0.58) LIPGLMNAMEN1NR1I2CHRM2
SCHEMBL29952115 0.93 LIPE (0.58) LIPGLMNAMEN1NR1I2CHRM2
SCHEMBL18171926 0.91 LIPE (0.63) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL1684575 0.87 LIPE (0.59) LIPGLMNAMEN1NR1I2CHRM2

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