SCHEMBL24200223

SCHEMBL24200223

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.40
▸ PKM P14618 1/20 0.38
▸ CYP4F2 P78329 2/20 0.35
▸ CYP4A11 Q02928 2/20 0.35
▸ USP2 O75604 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ TSHR P16473 1/20 0.32

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
SCHEMBL21455682 0.86 TBXAS1 (0.44) TBXAS1PKMCYP4F2CYP4A11USP2
SCHEMBL21455140 0.83 TBXAS1 (0.39) TBXAS1PKMCYP4F2CYP4A11SMN1; SMN2
SCHEMBL24200167 0.81 TBXAS1 (0.38) TBXAS1PKMCYP4F2CYP4A11USP2
SCHEMBL21455411 0.81 TBXAS1 (0.42) TBXAS1PKMCYP4F2CYP4A11USP2
SCHEMBL24200196 0.80 TBXAS1 (0.39) TBXAS1PKMCYP4F2CYP4A11SMN1; SMN2
SCHEMBL24200170 0.79 TBXAS1 (0.42) TBXAS1PKMCYP4F2CYP4A11USP2
SCHEMBL24200089 0.78 TBXAS1 (0.42) TBXAS1PKMCYP4F2CYP4A11USP2
SCHEMBL7888801 0.77 TBXAS1 (0.49) TBXAS1PKMCYP4F2CYP4A11SMN1; SMN2
SCHEMBL21455527 0.77 TBXAS1 (0.35) TBXAS1PKMCYP4F2CYP4A11SMN1; SMN2
SCHEMBL23229153 0.76 TBXAS1 (0.48) 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
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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