SCHEMBL21455441

SCHEMBL21455441

CCOC(=O)Cc1ccccc1O/C(C)=C/C(B1OC(C)(C)C(C)(C)O1)=C(/O)CC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.36
▸ AKR1C3 P42330 2/20 0.35
▸ AKR1C2 P52895 2/20 0.35
▸ PKM P14618 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.32
▸ HPGD P15428 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ CYP4F2 P78329 1/20 0.32
▸ CYP4A11 Q02928 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ USP2 O75604 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL25895072 0.93 TBXAS1 (0.37) TBXAS1AKR1C3AKR1C2PKMSMN1; SMN2
SCHEMBL21455148 0.93 TBXAS1 (0.37) TBXAS1AKR1C3AKR1C2PKMSMN1; SMN2
SCHEMBL21455391 0.90 TBXAS1 (0.36) TBXAS1AKR1C3AKR1C2PKMSMN1; SMN2
SCHEMBL25894459 0.90 TBXAS1 (0.36) TBXAS1AKR1C3AKR1C2PKMSMN1; SMN2
SCHEMBL25097868 0.89 TBXAS1 (0.36) TBXAS1AKR1C3AKR1C2PKMSMN1; SMN2
SCHEMBL25908505 0.89 TBXAS1 (0.36) TBXAS1AKR1C3AKR1C2PKMSMN1; SMN2
SCHEMBL21455145 0.85 TBXAS1 (0.36) TBXAS1AKR1C3AKR1C2PKMSMN1; SMN2
SCHEMBL25894394 0.85 TBXAS1 (0.36) TBXAS1AKR1C3AKR1C2PKMSMN1; SMN2
SCHEMBL23656672 0.83 TBXAS1 (0.36) TBXAS1AKR1C3AKR1C2PKMSMN1; SMN2
SCHEMBL23656643 0.83 TBXAS1 (0.34) TBXAS1AKR1C3AKR1C2PKMSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3939658-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-01-19 — — EP disclosed
WO-2019195720-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2019-10-10 — — WO disclosed
Send feedback