SCHEMBL21455709

SCHEMBL21455709

CCOC(=O)Cc1ccccc1OC(C)CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.46
▸ PKM P14618 1/20 0.45
▸ CYP4F2 P78329 2/20 0.42
▸ CYP4A11 Q02928 2/20 0.42
▸ TSHR P16473 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL23425588 0.90 TBXAS1 (0.47) TBXAS1PKMCYP4F2CYP4A11TSHR
SCHEMBL23241478 0.90 TBXAS1 (0.47) TBXAS1PKMCYP4F2CYP4A11TSHR
SCHEMBL7888801 0.87 TBXAS1 (0.49) TBXAS1PKMCYP4F2CYP4A11TSHR
SCHEMBL23229153 0.85 TBXAS1 (0.48) TBXAS1PKMCYP4F2CYP4A11SMN1; SMN2
SCHEMBL23229004 0.84 TBXAS1 (0.47) TBXAS1PKMCYP4F2CYP4A11SMN1; SMN2
SCHEMBL23617253 0.84 TBXAS1 (0.47) TBXAS1PKMCYP4F2CYP4A11TSHR
SCHEMBL909198 0.82 TBXAS1 (0.48) TBXAS1PKMCYP4F2CYP4A11TSHR
SCHEMBL23616962 0.82 TBXAS1 (0.46) TBXAS1PKMCYP4F2CYP4A11TSHR
SCHEMBL23229163 0.81 TBXAS1 (0.45) TBXAS1PKMCYP4F2CYP4A11TSHR
SCHEMBL21455682 0.80 TBXAS1 (0.44) 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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