SCHEMBL21455151

SCHEMBL21455151

CCOC(=O)Cc1ccccc1OC(C)/C(C)=C/C(=C(\C)O)c1cccc(CCN)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 4/20 0.38
▸ F10 P00742 2/20 0.37
▸ F2 P00734 1/20 0.37
▸ MRGPRX4 Q96LA9 2/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.34
▸ F11 P03951 3/20 0.34
▸ TPSB2 P20231 3/20 0.34
▸ CYP4F2 P78329 1/20 0.34
▸ CYP4A11 Q02928 1/20 0.34
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ PLG P00747 1/20 0.33
▸ PLAU P00749 1/20 0.33
▸ KLKB1 P03952 1/20 0.33
▸ F7 P08709 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TBXAS1 P24557 1/20 0.33
▸ PARP1 P09874 1/20 0.32
▸ PDE5A O76074 1/20 0.32

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
SCHEMBL24199900 0.84 CFD (0.39) CFDF10F2MRGPRX4F11
SCHEMBL21455660 0.83 PDCD1 (0.38) CFDMRGPRX4TBXAS1
SCHEMBL24200348 0.83 CFD (0.39) CFDF10F2MRGPRX4F11
SCHEMBL21455140 0.78 TBXAS1 (0.39) CFDCYP4F2CYP4A11LMNAL3MBTL1
SCHEMBL21455146 0.78 CFD (0.37) CFDF11TPSB2PLGPLAU
SCHEMBL21455682 0.75 TBXAS1 (0.44) CYP4F2CYP4A11L3MBTL1TBXAS1
SCHEMBL24200155 0.74 MRGPRX4 (0.35) CFDMRGPRX4PPARGPPARAL3MBTL1
SCHEMBL21455351 0.73 CFD (0.43) CFDF10F2F11TPSB2
SCHEMBL24200223 0.73 TBXAS1 (0.40) CYP4F2CYP4A11L3MBTL1TBXAS1
SCHEMBL24200167 0.73 TBXAS1 (0.38) CYP4F2CYP4A11LMNAL3MBTL1TBXAS1

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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