SCHEMBL29956903

SCHEMBL29956903

CCOc1ccc2ccccc2c1B(O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CXCR5 P32302 1/20 0.41
MAPK1 P28482 2/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
G6PD P11413 1/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 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
SCHEMBL1642006 1.00 ALOX5 (0.50) ALOX5ALDH1A1KDM4ELMNATSHR
SCHEMBL29956003 0.87 CNR1 (0.51) TSHRL3MBTL1TDP1GAA
SCHEMBL2556411 0.86 NCF1 (0.46) ALOX5ALDH1A1KDM4ETSHRMAPK1
SCHEMBL14393685 0.86 GAA (0.57) L3MBTL1TDP1GAA
SCHEMBL29951571 0.86 GAA (0.57) L3MBTL1TDP1GAA
SCHEMBL9946024 0.85 ALOX5 (0.48) ALOX5ALDH1A1KDM4ELMNATSHR
SCHEMBL29952915 0.84 CNR1 (0.53) L3MBTL1TDP1GAA
SCHEMBL7675242 0.84 MAPT (0.42) ALOX5ALDH1A1KDM4EHPGDMAPT
SCHEMBL15330334 0.83 KDM1A (0.42) ALDH1A1KDM4EHPGDMAPTL3MBTL1
SCHEMBL15331311 0.83 SLC2A1 (0.49) ALDH1A1KDM4ELMNATSHRHSD17B10

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