SCHEMBL31487702

SCHEMBL31487702

CC(C)(C)OC(=O)c1cccc(CCn2cnc(CO)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.46
▸ CYP4F2 P78329 3/20 0.41
▸ CYP4A11 Q02928 3/20 0.41
▸ LOXL2 Q9Y4K0 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ JMJD6 Q6NYC1 1/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ ABHD6 Q9BV23 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ CD74 P04233 1/20 0.32
▸ MIF P14174 1/20 0.32
▸ GRN P28799 1/20 0.32
▸ SORT1 Q99523 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
SCHEMBL31487570 1.00 SLC7A5 (0.46) SLC7A5CYP4F2CYP4A11LOXL2HDAC1
SCHEMBL31487746 0.89 SLC7A5 (0.47) SLC7A5CYP4F2CYP4A11LOXL2HDAC1
SCHEMBL31487542 0.84 CYP4F2 (0.46) SLC7A5CYP4F2CYP4A11LOXL2MRGPRX4
SCHEMBL31487682 0.76 SLC7A5 (0.46) SLC7A5CYP4F2CYP4A11LOXL2HDAC1
SCHEMBL7505386 0.76 CYP4F2 (0.69) SLC7A5CYP4F2CYP4A11LOXL2MRGPRX4
SCHEMBL31487557 0.76 CYP4F2 (0.69) SLC7A5CYP4F2CYP4A11LOXL2MRGPRX4
SCHEMBL3499880 0.75 SLC7A5 (0.63) SLC7A5CYP4F2CYP4A11LOXL2MRGPRX4
SCHEMBL14415229 0.73 CYP4A11 (0.68) SLC7A5CYP4F2CYP4A11LOXL2MRGPRX4
SCHEMBL5382573 0.73 SLC7A5 (0.60) SLC7A5CYP4F2CYP4A11LOXL2MRGPRX4
SCHEMBL31487689 0.72 SLC7A5 (0.46) SLC7A5CYP4F2CYP4A11LOXL2HDAC1

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
Send feedback