SCHEMBL30340238

SCHEMBL30340238

COC(=O)[C@H](Cc1cccc(N/C(=N/C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.43
▸ MDM2 Q00987 1/20 0.43
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ KLK5 Q9Y337 1/20 0.41
▸ CTSB P07858 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ MDM4 O15151 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ NTSR1 P30989 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL30340155 0.94 MDM2 (0.48) EPHX2MDM2CTSBCTSSCTSK
SCHEMBL2367217 0.82 MDM2 (0.56) EPHX2MDM2CTSBCTSSCTSK
SCHEMBL30229655 0.81 SLC7A5 (0.47) EPHX2MDM2KLK5MDM4TP53
SCHEMBL14598321 0.80 CTSS (0.47) MDM2CTSBCTSSCTSKPTPN1
SCHEMBL28741567 0.77 CTSL (0.52) EPHX2MDM2CTSBCTSSCTSK
SCHEMBL16574853 0.77 EPHX2 (0.46) EPHX2MDM2MDM4TP53PTPN1
SCHEMBL30278733 0.77 PTPN1 (0.44) MDM2KLK5MDM4TP53PTPN1
SCHEMBL22108932 0.77 PTPN1 (0.44) MDM2KLK5MDM4TP53PTPN1
SCHEMBL22454530 0.77 MDM4 (0.47) MDM2MDM4TP53PTPN1
SCHEMBL29633732 0.77 MDM4 (0.47) MDM2MDM4TP53PTPN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024200819-A1 PROTEASE INHIBITORS FOR CORONAVIRAL INFECTIONS PROTINHI B.V. (NL) 2024-10-03 — — WO disclosed
EP-4408454-A1 PROTEASE INHIBITORS Protinhi B.V. (NL) 2024-08-07 — — EP disclosed
WO-2023052636-A1 PROTEASE INHIBITORS PROTINHI B.V. (NL) 2023-04-06 — — WO disclosed
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