SCHEMBL23241666

SCHEMBL23241666

C=CC(CC)[C@@H](C)Oc1ccccc1CC(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.42
▸ PKM P14618 1/20 0.40
▸ CYP4F2 P78329 2/20 0.37
▸ CYP4A11 Q02928 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL25899417 0.85 TBXAS1 (0.40) TBXAS1PKMCYP4F2CYP4A11SMN1; SMN2
SCHEMBL23616962 0.83 TBXAS1 (0.46) TBXAS1PKMCYP4F2CYP4A11SMN1; SMN2
SCHEMBL23617253 0.83 TBXAS1 (0.47) TBXAS1PKMCYP4F2CYP4A11SMN1; SMN2
SCHEMBL23425588 0.80 TBXAS1 (0.47) TBXAS1PKMCYP4F2CYP4A11SMN1; SMN2
SCHEMBL23241478 0.80 TBXAS1 (0.47) TBXAS1PKMCYP4F2CYP4A11SMN1; SMN2
SCHEMBL7888801 0.80 TBXAS1 (0.49) TBXAS1PKMCYP4F2CYP4A11SMN1; SMN2
SCHEMBL23229153 0.79 TBXAS1 (0.48) TBXAS1PKMCYP4F2CYP4A11SMN1; SMN2
SCHEMBL23616929 0.79 TBXAS1 (0.43) TBXAS1PKMCYP4F2CYP4A11SMN1; SMN2
SCHEMBL24200089 0.78 TBXAS1 (0.42) TBXAS1PKMCYP4F2CYP4A11SMN1; SMN2
SCHEMBL23229004 0.78 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-2021072156-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 — — WO disclosed
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