SCHEMBL21455682

SCHEMBL21455682

C/C=C(\C)C(C)Oc1ccccc1CC(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.44
▸ PKM P14618 1/20 0.42
▸ CYP4F2 P78329 2/20 0.40
▸ CYP4A11 Q02928 2/20 0.40
▸ USP2 O75604 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL24200223 0.86 TBXAS1 (0.40) TBXAS1PKMCYP4F2CYP4A11USP2
SCHEMBL24200142 0.85 HPGD (0.39) L3MBTL1KMT2AMEN1HSD17B10
SCHEMBL21455140 0.85 TBXAS1 (0.39) TBXAS1PKMCYP4F2CYP4A11SMN1; SMN2
SCHEMBL7888801 0.83 TBXAS1 (0.49) TBXAS1PKMCYP4F2CYP4A11SMN1; SMN2
SCHEMBL24200167 0.83 TBXAS1 (0.38) TBXAS1PKMCYP4F2CYP4A11USP2
SCHEMBL23229153 0.82 TBXAS1 (0.48) TBXAS1PKMCYP4F2CYP4A11SMN1; SMN2
SCHEMBL23617253 0.81 TBXAS1 (0.47) TBXAS1PKMCYP4F2CYP4A11SMN1; SMN2
SCHEMBL23229004 0.81 TBXAS1 (0.47) TBXAS1PKMCYP4F2CYP4A11USP2
SCHEMBL23241478 0.81 TBXAS1 (0.47) TBXAS1PKMCYP4F2CYP4A11SMN1; SMN2
SCHEMBL23425588 0.81 TBXAS1 (0.47) TBXAS1PKMCYP4F2CYP4A11SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019195720-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2019-10-10 — — WO disclosed
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