SCHEMBL24199930

SCHEMBL24199930

CCOC(=O)Cc1ccc(-c2ccccc2)cc1OC(C)/C=C\C(=C(/C)O)c1cccc(CN)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 3/20 0.35
▸ F11 P03951 2/20 0.33
▸ TPSB2 P20231 2/20 0.33
▸ PLAU P00749 2/20 0.33
▸ PLG P00747 1/20 0.33
▸ KLKB1 P03952 1/20 0.33
▸ F7 P08709 1/20 0.33
▸ PTGS2 P35354 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ PTGS1 P23219 1/20 0.31
▸ HPGD P15428 3/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL24199932 0.80 KDM4E (0.36) L3MBTL1DHODHHPGDALDH1A1MAPT
SCHEMBL24200155 0.76 MRGPRX4 (0.35) CFDL3MBTL1MRGPRX4DHODHALDH1A1
SCHEMBL24199931 0.73 CFD (0.42) CFDF11TPSB2PLAUPLG
SCHEMBL24200224 0.71 TBXAS1 (0.35) CFDPTGS2L3MBTL1MRGPRX4DHODH
SCHEMBL21455759 0.71 L3MBTL1 (0.40) CFDPTGS2L3MBTL1MRGPRX4HPGD
SCHEMBL24200130 0.70 TBXAS1 (0.39) L3MBTL1HPGDALDH1A1MAPTGAA
SCHEMBL23617310 0.69 L3MBTL1 (0.40) CFDPTGS2L3MBTL1MRGPRX4HPGD
SCHEMBL21438503 0.68 RECQL (0.46) L3MBTL1HPGDALDH1A1MAPTGAA
SCHEMBL25913045 0.68 L3MBTL1 (0.49) L3MBTL1HPGDALDH1A1MAPTRAB9A
SCHEMBL21455293 0.67 DPP4 (0.35) CFDL3MBTL1MRGPRX4HPGDALDH1A1

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
EP-3939658-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-01-19 — — EP disclosed
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