SCHEMBL31487682

SCHEMBL31487682

CC(C)(C)OC(=O)c1cccc(CCn2ncnc2CO)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.46
▸ CYP4F2 P78329 3/20 0.41
▸ CYP4A11 Q02928 3/20 0.41
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ LOXL2 Q9Y4K0 1/20 0.34
▸ GRN P28799 1/20 0.34
▸ SORT1 Q99523 1/20 0.34
▸ MRGPRX4 Q96LA9 3/20 0.33
▸ ABHD6 Q9BV23 1/20 0.33
▸ MAPK10 P53779 1/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ AMPD3 Q01432 1/20 0.32

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
SCHEMBL31487676 0.89 SLC7A5 (0.47) SLC7A5CYP4F2CYP4A11HDAC1HDAC6
SCHEMBL31487511 0.84 CYP4F2 (0.46) SLC7A5CYP4F2CYP4A11HDAC1HDAC6
SCHEMBL31487570 0.76 SLC7A5 (0.46) SLC7A5CYP4F2CYP4A11HDAC1HDAC6
SCHEMBL31487702 0.76 SLC7A5 (0.46) SLC7A5CYP4F2CYP4A11HDAC1HDAC6
SCHEMBL7505386 0.76 CYP4F2 (0.69) SLC7A5CYP4F2CYP4A11LOXL2MRGPRX4
SCHEMBL31487557 0.76 CYP4F2 (0.69) SLC7A5CYP4F2CYP4A11LOXL2MRGPRX4
SCHEMBL3499880 0.75 SLC7A5 (0.63) SLC7A5CYP4F2CYP4A11LOXL2MRGPRX4
SCHEMBL31487722 0.75 ABHD6 (0.47) SLC7A5CYP4F2CYP4A11HDAC1HDAC6
SCHEMBL14415229 0.73 CYP4A11 (0.68) SLC7A5CYP4F2CYP4A11LOXL2MRGPRX4
SCHEMBL5382573 0.73 SLC7A5 (0.60) SLC7A5CYP4F2CYP4A11LOXL2MRGPRX4

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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