SCHEMBL24200130

SCHEMBL24200130

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.39
▸ PKM P14618 1/20 0.37
▸ USP2 O75604 1/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ CYP4F2 P78329 1/20 0.34
▸ CYP4A11 Q02928 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ITGA4 P13612 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
SCHEMBL24199932 0.88 KDM4E (0.36) PKML3MBTL1TRPM8MEN1KMT2A
SCHEMBL24200170 0.85 TBXAS1 (0.42) TBXAS1PKMUSP2L3MBTL1CYP4F2
SCHEMBL24200196 0.81 TBXAS1 (0.39) TBXAS1PKML3MBTL1CYP4F2CYP4A11
SCHEMBL24199899 0.80 TBXAS1 (0.35) TBXAS1PKMUSP2L3MBTL1CYP4F2
SCHEMBL24200089 0.79 TBXAS1 (0.42) TBXAS1PKMUSP2L3MBTL1CYP4F2
SCHEMBL24200119 0.79 MEN1 (0.33) TBXAS1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL21455427 0.77 TBXAS1 (0.42) TBXAS1PKMUSP2L3MBTL1CYP4F2
SCHEMBL7888801 0.76 TBXAS1 (0.49) TBXAS1PKML3MBTL1CYP4F2CYP4A11
SCHEMBL25899417 0.76 TBXAS1 (0.40) TBXAS1PKMUSP2L3MBTL1CYP4F2
SCHEMBL23229153 0.75 TBXAS1 (0.48) 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
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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