SCHEMBL29956003

SCHEMBL29956003

CCCOc1ccc2ccccc2c1B(O)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.51
CNR2 P34972 4/20 0.51
GAA P10253 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 1/20 0.47
PLA2G1B P04054 1/20 0.43
HSP90AA1 P07900 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
HTR1B P28222 5/20 0.43
CYP2C9 P11712 1/20 0.43
HTR1D P28221 2/20 0.42
KCNH2 Q12809 2/20 0.40
TLR8 Q9NR97 1/20 0.40
MCHR1 Q99705 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40

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
SCHEMBL29951571 0.92 GAA (0.57) CNR1CNR2GAATDP1L3MBTL1
SCHEMBL14393685 0.92 GAA (0.57) CNR1CNR2GAATDP1L3MBTL1
SCHEMBL29952915 0.91 CNR1 (0.53) CNR1CNR2GAATDP1L3MBTL1
SCHEMBL1642006 0.87 ALOX5 (0.50) GAATDP1L3MBTL1TSHR
SCHEMBL29956903 0.87 ALOX5 (0.50) GAATDP1L3MBTL1TSHR
SCHEMBL2556411 0.87 NCF1 (0.46) CNR1CNR2GAATDP1L3MBTL1
SCHEMBL15330334 0.86 KDM1A (0.42) CNR1CNR2GAATDP1L3MBTL1
SCHEMBL2558327 0.85 GAA (0.43) CNR1CNR2GAATDP1L3MBTL1
SCHEMBL2552647 0.84 HTR1B (0.61) MEN1KMT2AHTR1BHTR1DADRB2
SCHEMBL2562676 0.84 TLR8 (0.44) CNR1CNR2GAATDP1L3MBTL1

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