SCHEMBL29954239

SCHEMBL29954239

CNc1c(O)cccc1C=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 6/20 0.55
▸ TRIM24 O15164 1/20 0.54
▸ TRIM33 Q9UPN9 1/20 0.54
▸ CA1 P00915 3/20 0.52
▸ CA2 P00918 3/20 0.52
▸ TLR2 O60603 1/20 0.43
▸ TLR1 Q15399 1/20 0.43
▸ TLR6 Q9Y2C9 1/20 0.43
▸ LMNA P02545 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CDK4 P11802 1/20 0.38
▸ CCND1 P24385 1/20 0.38
▸ IAPP P10997 1/20 0.38
▸ CA12 O43570 2/20 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
SCHEMBL23018201 0.82 ERN1 (0.57) ERN1TRIM24TRIM33CA1CA2
SCHEMBL11439324 0.78 CA2 (0.45) CA1CA2LMNATHRBBLM
SCHEMBL28298267 0.78 ALDH1A1 (0.56) ERN1TRIM24TRIM33CA1CA2
SCHEMBL16470058 0.78 TDP1 (0.42) ERN1TRIM24TRIM33CA1CA2
Salicyladehyde SCHEMBL9437422 0.77 TRIM24 (0.82) ERN1TRIM24TRIM33CA1CA2
SCHEMBL16119586 0.76 ALDH1A1 (0.45) ERN1TRIM24TRIM33CA1CA2
SCHEMBL28873592 0.76 ERN1 (0.52) ERN1TRIM24TRIM33CA1CA2
SCHEMBL7877994 0.76 KDM4E (0.43) ERN1LMNAMEN1THRBBLM
SCHEMBL15009404 0.74 SCN5A (0.46) ERN1LMNAMEN1THRBBLM
SCHEMBL3098499 0.74 ERN1 (0.36) 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
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