SCHEMBL23617253

SCHEMBL23617253

CCOC(=O)Cc1ccccc1O[C@H](C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.47
▸ PKM P14618 1/20 0.46
▸ CYP4F2 P78329 2/20 0.43
▸ CYP4A11 Q02928 2/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HSD17B10 Q99714 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
SCHEMBL23616962 0.89 TBXAS1 (0.46) TBXAS1PKMCYP4F2CYP4A11SMN1; SMN2
SCHEMBL7888801 0.88 TBXAS1 (0.49) TBXAS1PKMCYP4F2CYP4A11SMN1; SMN2
SCHEMBL23229153 0.87 TBXAS1 (0.48) TBXAS1PKMCYP4F2CYP4A11SMN1; SMN2
SCHEMBL23229004 0.85 TBXAS1 (0.47) TBXAS1PKMCYP4F2CYP4A11SMN1; SMN2
SCHEMBL23425588 0.85 TBXAS1 (0.47) TBXAS1PKMCYP4F2CYP4A11SMN1; SMN2
SCHEMBL23241478 0.85 TBXAS1 (0.47) TBXAS1PKMCYP4F2CYP4A11SMN1; SMN2
SCHEMBL21455709 0.84 TBXAS1 (0.46) TBXAS1PKMCYP4F2CYP4A11SMN1; SMN2
SCHEMBL909198 0.84 TBXAS1 (0.48) TBXAS1PKMCYP4F2CYP4A11SMN1; SMN2
SCHEMBL24200089 0.83 TBXAS1 (0.42) TBXAS1PKMCYP4F2CYP4A11SMN1; SMN2
SCHEMBL23241666 0.83 TBXAS1 (0.42) 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-3687506-B1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARM INC (US) 2021-07-07 — — EP disclosed
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