SCHEMBL24199896

SCHEMBL24199896

CCOC(=O)Cc1ccccc1OC(C)/C(=C/C(B1OC(C)(C)C(C)(C)O1)=C(\C)O)CC

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.34
▸ PKM P14618 1/20 0.32
▸ AKR1C3 P42330 1/20 0.31
▸ AKR1C2 P52895 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ GAA P10253 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
SCHEMBL21455527 0.92 TBXAS1 (0.35) TBXAS1PKMAKR1C3AKR1C2SMN1; SMN2
SCHEMBL24200110 0.88 TBXAS1 (0.33) TBXAS1PKM
SCHEMBL21455172 0.87 TBXAS1 (0.35) TBXAS1PKM
SCHEMBL21455225 0.84 TBXAS1 (0.34) TBXAS1PKMSMN1; SMN2L3MBTL1
SCHEMBL24199899 0.84 TBXAS1 (0.35) TBXAS1PKMAKR1C3AKR1C2SMN1; SMN2
SCHEMBL21455145 0.84 TBXAS1 (0.36) TBXAS1PKMAKR1C3AKR1C2SMN1; SMN2
SCHEMBL25894394 0.84 TBXAS1 (0.36) TBXAS1PKMAKR1C3AKR1C2SMN1; SMN2
SCHEMBL25895072 0.84 TBXAS1 (0.37) TBXAS1PKMAKR1C3AKR1C2SMN1; SMN2
SCHEMBL21455148 0.84 TBXAS1 (0.37) TBXAS1PKMAKR1C3AKR1C2SMN1; SMN2
SCHEMBL23425579 0.82 TBXAS1 (0.33) TBXAS1PKM

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
EP-3939658-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-01-19 — — EP disclosed
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