SCHEMBL21455140

SCHEMBL21455140

CCOC(=O)Cc1ccccc1OC(C)/C(C)=C/C(I)=C(\C)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.39
▸ PKM P14618 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP4F2 P78329 1/20 0.34
▸ CYP4A11 Q02928 1/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ CFD P00746 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL24200167 0.91 TBXAS1 (0.38) TBXAS1PKML3MBTL1LMNACYP4F2
SCHEMBL21455682 0.85 TBXAS1 (0.44) TBXAS1PKML3MBTL1CYP4F2CYP4A11
SCHEMBL24200223 0.83 TBXAS1 (0.40) TBXAS1PKML3MBTL1CYP4F2CYP4A11
SCHEMBL21455527 0.80 TBXAS1 (0.35) TBXAS1PKML3MBTL1LMNACYP4F2
SCHEMBL21561862 0.80 TBXAS1 (0.40) TBXAS1PKML3MBTL1LMNACYP4F2
SCHEMBL24200196 0.79 TBXAS1 (0.39) TBXAS1PKML3MBTL1LMNACYP4F2
SCHEMBL21455146 0.79 CFD (0.37) TBXAS1L3MBTL1LMNATRPM8CFD
SCHEMBL21455151 0.78 CFD (0.38) TBXAS1L3MBTL1LMNACYP4F2CYP4A11
SCHEMBL23229004 0.77 TBXAS1 (0.47) TBXAS1PKML3MBTL1CYP4F2CYP4A11
SCHEMBL7888801 0.76 TBXAS1 (0.49) TBXAS1PKML3MBTL1CYP4F2CYP4A11

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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