SCHEMBL31487511

SCHEMBL31487511

COC(=O)c1ncnn1CCc1cccc(C(=O)OC(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.46
▸ CYP4A11 Q02928 2/20 0.46
▸ SLC7A5 Q01650 2/20 0.45
▸ LOXL2 Q9Y4K0 1/20 0.41
▸ MRGPRX4 Q96LA9 4/20 0.39
▸ ABHD6 Q9BV23 1/20 0.39
▸ MAPK10 P53779 1/20 0.38
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ FOLH1 Q04609 1/20 0.36
▸ CD74 P04233 1/20 0.36
▸ MIF P14174 1/20 0.36

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
SCHEMBL31487722 0.89 ABHD6 (0.47) CYP4F2CYP4A11SLC7A5LOXL2MRGPRX4
SCHEMBL31487682 0.84 SLC7A5 (0.46) CYP4F2CYP4A11SLC7A5LOXL2MRGPRX4
SCHEMBL31487542 0.77 CYP4F2 (0.46) CYP4F2CYP4A11SLC7A5LOXL2MRGPRX4
SCHEMBL31487676 0.75 SLC7A5 (0.47) CYP4F2CYP4A11SLC7A5LOXL2MRGPRX4
SCHEMBL31487600 0.72 HDAC8 (0.33) —
SCHEMBL7505386 0.72 CYP4F2 (0.69) CYP4F2CYP4A11SLC7A5LOXL2MRGPRX4
SCHEMBL31487557 0.72 CYP4F2 (0.69) CYP4F2CYP4A11SLC7A5LOXL2MRGPRX4
SCHEMBL5382573 0.72 SLC7A5 (0.60) CYP4F2CYP4A11SLC7A5LOXL2MRGPRX4
SCHEMBL7586786 0.71 SLC7A5 (0.54) CYP4F2CYP4A11SLC7A5LOXL2MRGPRX4
SCHEMBL7504785 0.71 SLC7A5 (0.63) CYP4F2CYP4A11SLC7A5LOXL2

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-2025058977-A1 MODULATORS OF CORONAVIRUS 3C-LIKE PROTEASE AND USES THEREOF Vir Biotechnology, Inc. (US) 2025-03-20 — — WO disclosed
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