SCHEMBL29952736

SCHEMBL29952736

COc1c(O)ccc(C(=O)O)c1C=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.49
MAPT P10636 3/20 0.49
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
SELL P14151 1/20 0.41
SELP P16109 1/20 0.41
ALDH1A1 P00352 3/20 0.39
LCK P06239 1/20 0.39
GLA P06280 1/20 0.39
THRB P10828 1/20 0.39
LIMK1 P53667 1/20 0.39
LIMK2 P53671 1/20 0.39
ERN1 O75460 4/20 0.39
TRIM24 O15164 1/20 0.39
HPGD P15428 1/20 0.39
ALDH5A1 P51649 1/20 0.39
ABAT P80404 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39

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
SCHEMBL31096388 0.86 SLC22A6 (0.51) TDP1MAPTCA1CA2SLC22A6
SCHEMBL8389971 0.83 MAPT (0.62) TDP1MAPTCA1CA2ALDH1A1
SCHEMBL8735765 0.81 CA1 (0.55) TDP1MAPTCA1CA2ALDH1A1
SCHEMBL419245 0.80 TDP1 (0.56) TDP1MAPTCA1CA2SELL
SCHEMBL12683255 0.78 TDP1 (0.70) TDP1MAPTCA1CA2SELL
SCHEMBL17740051 0.77 SELL (0.50) TDP1MAPTCA1CA2SLC22A6
SCHEMBL7939012 0.77 CA1 (0.59) TDP1MAPTCA1CA2ALDH1A1
SCHEMBL31746160 0.77 TDP1 (0.53) TDP1MAPTCA1CA2SELL
SCHEMBL3936411 0.77 ERN1 (0.51) TDP1MAPTCA1CA2ALDH1A1
SCHEMBL2059405 0.77 TDP1 (0.53) TDP1MAPTCA1CA2SELL

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