SCHEMBL29950831

SCHEMBL29950831

COc1ccc(O)c(C=O)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 8/20 0.44
TDP1 Q9NUW8 2/20 0.42
TRIM24 O15164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TRIM33 Q9UPN9 2/20 0.42
HPGD P15428 1/20 0.42
ALDH5A1 P51649 1/20 0.42
ABAT P80404 1/20 0.42
POLB P06746 1/20 0.41
NNMT P40261 2/20 0.40
TYR P14679 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
AOX1 Q06278 1/20 0.38
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR2B P41595 1/20 0.35
TLR2 O60603 1/20 0.34
TLR1 Q15399 1/20 0.34
TLR6 Q9Y2C9 1/20 0.34

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
SCHEMBL2261210 0.78 CYP1A2 (0.44) ERN1TDP1ALDH1A1POLBNNMT
SCHEMBL4320020 0.78 ERN1 (0.41) ERN1TDP1ALDH1A1POLBNNMT
SCHEMBL4980644 0.78 ERN1 (0.46) ERN1TDP1TRIM24ALDH1A1TRIM33
SCHEMBL16649204 0.77 RRM2 (0.41) ERN1TDP1ALDH1A1POLBNNMT
SCHEMBL29432648 0.77 ERN1 (0.42) ERN1TDP1ALDH1A1POLBNNMT
SCHEMBL20531048 0.77 ERN1 (0.42) ERN1TDP1ALDH1A1POLBNNMT
SCHEMBL28997057 0.77 NFE2L2 (0.40) ERN1TDP1ALDH1A1HPGDPOLB
SCHEMBL29957674 0.77 NFE2L2 (0.40) ERN1TDP1ALDH1A1HPGDPOLB
SCHEMBL13629372 0.74 ERN1 (0.40) ERN1TDP1TRIM24ALDH1A1TRIM33
SCHEMBL1390456 0.74 KDM4E (0.45) ERN1TDP1ALDH1A1HPGDKMT2A

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