SCHEMBL21455186

SCHEMBL21455186

C=C/C(B1OC(C)(C)C(C)(C)O1)=C(/O)CC(C)Oc1ccccc1CC(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.37
▸ PKM P14618 1/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ ADORA3 P0DMS8 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ XBP1 P17861 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ CYP4F2 P78329 1/20 0.30
▸ CYP4A11 Q02928 1/20 0.30
▸ AKR1C3 P42330 1/20 0.30
▸ AKR1C2 P52895 1/20 0.30

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
SCHEMBL21455708 0.81 TBXAS1 (0.41) TBXAS1PKMMEN1KMT2ASMN1; SMN2
SCHEMBL23229056 0.79 TBXAS1 (0.42) TBXAS1PKMMEN1KMT2ASMN1; SMN2
SCHEMBL21455527 0.79 TBXAS1 (0.35) TBXAS1PKMSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL24200273 0.79 TBXAS1 (0.35) TBXAS1PKMSMN1; SMN2LMNACYP4F2
SCHEMBL24199899 0.79 TBXAS1 (0.35) TBXAS1PKMSMN1; SMN2L3MBTL1ADORA3
SCHEMBL24199896 0.79 TBXAS1 (0.34) TBXAS1PKMSMN1; SMN2L3MBTL1LMNA
SCHEMBL21455225 0.78 TBXAS1 (0.34) TBXAS1PKMMEN1KMT2ASMN1; SMN2
SCHEMBL21455172 0.76 TBXAS1 (0.35) TBXAS1PKMALDH1A1KDM4EHPGD
SCHEMBL23425579 0.76 TBXAS1 (0.33) TBXAS1PKM
SCHEMBL24200110 0.76 TBXAS1 (0.33) TBXAS1PKM

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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