SCHEMBL23616962

SCHEMBL23616962

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.46
▸ PKM P14618 1/20 0.44
▸ CYP4F2 P78329 2/20 0.41
▸ CYP4A11 Q02928 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL23617253 0.89 TBXAS1 (0.47) TBXAS1PKMCYP4F2CYP4A11TSHR
SCHEMBL23425588 0.86 TBXAS1 (0.47) TBXAS1PKMCYP4F2CYP4A11TSHR
SCHEMBL23241478 0.86 TBXAS1 (0.47) TBXAS1PKMCYP4F2CYP4A11TSHR
SCHEMBL7888801 0.85 TBXAS1 (0.49) TBXAS1PKMCYP4F2CYP4A11TSHR
SCHEMBL21455171 0.84 CXCL8 (0.48) TSHRL3MBTL1
SCHEMBL23229153 0.84 TBXAS1 (0.48) TBXAS1PKMCYP4F2CYP4A11SMN1; SMN2
SCHEMBL23241666 0.83 TBXAS1 (0.42) TBXAS1PKMCYP4F2CYP4A11TSHR
SCHEMBL23229004 0.83 TBXAS1 (0.47) TBXAS1PKMCYP4F2CYP4A11ALDH1A1
SCHEMBL21455709 0.82 TBXAS1 (0.46) TBXAS1PKMCYP4F2CYP4A11TSHR
SCHEMBL23241624 0.82 MAPT (0.38) PKMTSHRALDH1A1SMN1; SMN2KMT2A

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 2 patents. 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
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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