SCHEMBL29933260

SCHEMBL29933260

COc1c(C=O)cc(F)c(O)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 17/20 0.47
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
TRIM24 O15164 1/20 0.39
TYR P14679 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
SCHEMBL29933312 0.84 ERN1 (0.49) ERN1CA1CA2TRIM24TYR
SCHEMBL27189236 0.83 ERN1 (0.47) ERN1CA1CA2TRIM24TYR
SCHEMBL28915744 0.82 ERN1 (0.48) ERN1CA1CA2LMNAMAPT
SCHEMBL29933143 0.82 ERN1 (0.48) ERN1CA1CA2LMNAMAPT
SCHEMBL9787541 0.79 ERN1 (0.48) ERN1CA1CA2LMNAMAPT
SCHEMBL28843543 0.78 ERN1 (0.46) ERN1CA1CA2TRIM24TYR
SCHEMBL23414419 0.77 ERN1 (0.40) ERN1CA1CA2TRIM24TYR
SCHEMBL20607349 0.75 ERN1 (0.39) ERN1CA1CA2MAPTTRIM24
SCHEMBL29365717 0.75 ERN1 (0.51) ERN1CA1CA2
SCHEMBL7380240 0.75 ERN1 (0.47) ERN1CA1CA2TRIM24TYR

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
CN-112812113-B Immunomodulatory compounds, compositions and uses thereof 杭州和正医药有限公司 2022-09-20 CN disclosed