SCHEMBL21455769

SCHEMBL21455769

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.40
▸ PKM P14618 1/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ CYP4F2 P78329 2/20 0.36
▸ CYP4A11 Q02928 2/20 0.36
▸ USP2 O75604 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ LMNA P02545 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
SCHEMBL21455376 0.89 TBXAS1 (0.39) TBXAS1PKML3MBTL1CYP4F2CYP4A11
SCHEMBL21455733 0.84 TBXAS1 (0.39) TBXAS1PKML3MBTL1CYP4F2CYP4A11
SCHEMBL7888801 0.78 TBXAS1 (0.49) TBXAS1PKML3MBTL1CYP4F2CYP4A11
SCHEMBL23229152 0.78 TBXAS1 (0.45) TBXAS1PKML3MBTL1CYP4F2CYP4A11
SCHEMBL21455361 0.78 TBXAS1 (0.45) TBXAS1PKML3MBTL1CYP4F2CYP4A11
SCHEMBL23229153 0.77 TBXAS1 (0.48) TBXAS1PKML3MBTL1CYP4F2CYP4A11
SCHEMBL23241666 0.76 TBXAS1 (0.42) TBXAS1PKML3MBTL1CYP4F2CYP4A11
SCHEMBL23425588 0.76 TBXAS1 (0.47) TBXAS1PKML3MBTL1CYP4F2CYP4A11
SCHEMBL23617253 0.76 TBXAS1 (0.47) TBXAS1PKML3MBTL1CYP4F2CYP4A11
SCHEMBL23241478 0.76 TBXAS1 (0.47) 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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