SCHEMBL24200196

SCHEMBL24200196

CCOC(=O)Cc1ccccc1OC(C)/C(=C/C(Br)=C(\C)O)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.39
▸ PKM P14618 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP4F2 P78329 1/20 0.34
▸ CYP4A11 Q02928 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TDP1 Q9NUW8 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
SCHEMBL24200319 0.88 MEN1 (0.32) ALDH1A1CYP1A2CYP2C19L3MBTL1LMNA
SCHEMBL24200130 0.81 TBXAS1 (0.39) TBXAS1PKMALDH1A1KDM4ECYP1A2
SCHEMBL21455546 0.81 TBXAS1 (0.40) TBXAS1PKMALDH1A1KDM4ECYP1A2
SCHEMBL24199896 0.80 TBXAS1 (0.34) TBXAS1PKML3MBTL1LMNAGAA
SCHEMBL24200223 0.80 TBXAS1 (0.40) TBXAS1PKMALDH1A1KDM4ECYP1A2
SCHEMBL24200170 0.79 TBXAS1 (0.42) TBXAS1PKMALDH1A1L3MBTL1LMNA
SCHEMBL21455140 0.79 TBXAS1 (0.39) TBXAS1PKMALDH1A1KDM4ECYP1A2
SCHEMBL21455682 0.79 TBXAS1 (0.44) TBXAS1PKML3MBTL1CYP4F2CYP4A11
SCHEMBL24200089 0.78 TBXAS1 (0.42) TBXAS1PKMALDH1A1L3MBTL1CYP4F2
SCHEMBL24200210 0.78 MEN1 (0.33) ALDH1A1CYP1A2CYP2C19L3MBTL1LMNA

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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