SCHEMBL31487728

SCHEMBL31487728

CC(C)(C)OC(=O)c1cccc(CCBr)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.59
CYP4F2 P78329 3/20 0.51
CYP4A11 Q02928 3/20 0.51
LOXL2 Q9Y4K0 1/20 0.45
MRGPRX4 Q96LA9 2/20 0.39
STAT3 P40763 1/20 0.39
MEP1B Q16820 1/20 0.39
AKT1 P31749 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
FOLH1 Q04609 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
ABCB1 P08183 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 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
SCHEMBL127411 0.88 SLC7A5 (0.62) SLC7A5CYP4F2CYP4A11LOXL2MRGPRX4
SCHEMBL29471996 0.88 SLC7A5 (0.62) SLC7A5CYP4F2CYP4A11LOXL2MRGPRX4
SCHEMBL5382573 0.86 SLC7A5 (0.60) SLC7A5CYP4F2CYP4A11LOXL2MRGPRX4
SCHEMBL7505386 0.86 CYP4F2 (0.69) SLC7A5CYP4F2CYP4A11LOXL2MRGPRX4
SCHEMBL31487557 0.86 CYP4F2 (0.69) SLC7A5CYP4F2CYP4A11LOXL2MRGPRX4
SCHEMBL27960544 0.85 ALDH1A1 (0.55) SLC7A5CYP4F2CYP4A11LOXL2MRGPRX4
SCHEMBL7504785 0.85 SLC7A5 (0.63) SLC7A5CYP4F2CYP4A11LOXL2STAT3
SCHEMBL12301533 0.84 SLC7A5 (0.65) SLC7A5CYP4F2CYP4A11LOXL2MRGPRX4
SCHEMBL14415229 0.84 CYP4A11 (0.68) SLC7A5CYP4F2CYP4A11LOXL2MRGPRX4
SCHEMBL30873957 0.84 SLC7A5 (0.61) SLC7A5CYP4F2CYP4A11LOXL2ALDH1A1

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