SCHEMBL29957501

SCHEMBL29957501

NC(=O)c1c(O)cccc1C=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.55
TRIM24 O15164 1/20 0.54
TRIM33 Q9UPN9 1/20 0.54
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA12 O43570 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
THRB P10828 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP19A1 P11511 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL20975456 0.82 CA1 (0.64) ERN1TRIM24TRIM33CA1CA2
SCHEMBL1668962 0.80 CA2 (0.59) CA1CA2CA12CA7CA9
SCHEMBL27792593 0.80 THRB (0.65) ERN1TRIM24TRIM33CA1CA2
Ethane SCHEMBL27592770 0.78 CA1 (0.59) ERN1TRIM24TRIM33CA1CA2
SCHEMBL6380826 0.78 CA1 (0.39) ERN1TRIM24TRIM33CA1CA2
SCHEMBL7928539 0.77 TRPA1 (0.59) CA1CA2CA12CA7CA9
SCHEMBL7836382 0.76 CA1 (0.71) ERN1TRIM24TRIM33CA1CA2
SCHEMBL28206869 0.76 ERN1 (0.50) ERN1TRIM24TRIM33CA1CA2
SCHEMBL29954290 0.76 ERN1 (0.50) ERN1TRIM24TRIM33CA1CA2
SCHEMBL2000711 0.75 HSD17B10 (0.46) ERN1CA1CA2CA12CA7

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