SCHEMBL21455733

SCHEMBL21455733

C=CC(C)([C@@H](C)Oc1ccccc1CC(=O)OCC)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.39
▸ PKM P14618 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ CYP4F2 P78329 1/20 0.34
▸ CYP4A11 Q02928 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HPGD P15428 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ALDH1A1 P00352 2/20 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
SCHEMBL21455769 0.84 TBXAS1 (0.40) TBXAS1PKML3MBTL1CYP4F2CYP4A11
SCHEMBL21455376 0.78 TBXAS1 (0.39) TBXAS1PKML3MBTL1CYP4F2CYP4A11
SCHEMBL23656748 0.77 MEN1 (0.34) TBXAS1L3MBTL1MEN1KMT2AHPGD
SCHEMBL7888801 0.76 TBXAS1 (0.49) TBXAS1PKML3MBTL1CYP4F2CYP4A11
SCHEMBL21455361 0.76 TBXAS1 (0.45) TBXAS1PKML3MBTL1CYP4F2CYP4A11
SCHEMBL23229152 0.76 TBXAS1 (0.45) TBXAS1PKML3MBTL1CYP4F2CYP4A11
SCHEMBL21455732 0.75 TBXAS1 (0.42) TBXAS1PKML3MBTL1CYP4F2CYP4A11
SCHEMBL25899705 0.75 TBXAS1 (0.42) TBXAS1PKML3MBTL1CYP4F2CYP4A11
SCHEMBL23229153 0.75 TBXAS1 (0.48) TBXAS1PKML3MBTL1CYP4F2CYP4A11
SCHEMBL909198 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
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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