SCHEMBL29954290

SCHEMBL29954290

CNC(=O)c1c(O)cccc1C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.50
TRIM24 O15164 1/20 0.48
TRIM33 Q9UPN9 1/20 0.48
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA12 O43570 4/20 0.46
CA7 P43166 4/20 0.46
CA9 Q16790 4/20 0.46
CA14 Q9ULX7 4/20 0.46
THRB P10828 2/20 0.44
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
CYP19A1 P11511 1/20 0.41
TLR2 O60603 1/20 0.40
TLR1 Q15399 1/20 0.40
TLR6 Q9Y2C9 1/20 0.40
IAPP P10997 1/20 0.39
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL6501339 0.82 CA12 (0.58) CA1CA2CA12CA7CA9
SCHEMBL27792593 0.79 THRB (0.65) ERN1TRIM24TRIM33CA1CA2
SCHEMBL7836382 0.79 CA1 (0.71) ERN1TRIM24TRIM33CA1CA2
SCHEMBL24501578 0.78 LMNA (0.41) ERN1CA1CA2LMNAHDAC8
Ethane SCHEMBL27592770 0.78 CA1 (0.59) ERN1TRIM24TRIM33CA1CA2
SCHEMBL20975456 0.77 CA1 (0.64) ERN1TRIM24TRIM33CA1CA2
SCHEMBL26317142 0.76 CA12 (0.43) CA1CA2CA12CA7CA9
SCHEMBL29957501 0.76 ERN1 (0.55) ERN1TRIM24TRIM33CA1CA2
SCHEMBL29954168 0.75 ERN1 (0.50) ERN1TRIM24TRIM33CA1CA2
SCHEMBL7194219 0.75 ERN1 (0.50) ERN1TRIM24TRIM33CA1CA2

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