SCHEMBL23565704

SCHEMBL23565704

C=CCCCN(Cc1ccc(CCNC(=O)[C@]2(C)CCCN2C(=O)C(Cc2ccc(OC)cc2)NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)cc1)C(=O)CCOCCC(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTRA1 Q92743 2/20 0.33
▸ PSMB5 P28074 3/20 0.32
▸ PSMB1 P20618 2/20 0.32
▸ PSMB8 P28062 2/20 0.32
▸ PSMB9 P28065 2/20 0.32
▸ PSMB10 P40306 1/20 0.32
▸ PSMB2 P49721 1/20 0.32
▸ CA2 P00918 1/20 0.30
▸ CACNA1B Q00975 1/20 0.30

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
SCHEMBL25444900 0.91 FOLH1 (0.31) —
SCHEMBL25444898 0.90 FOLH1 (0.30) —
SCHEMBL23051801 0.86 CACNA1B (0.33) HTRA1PSMB5PSMB1PSMB8PSMB9
SCHEMBL23080795 0.84 FOLH1 (0.30) —
SCHEMBL25495671 0.81 PTPN1 (0.31) PSMB5PSMB8PSMB9PSMB10
SCHEMBL25499826 0.79 CHRM5 (0.34) —
SCHEMBL25495648 0.77 USP2 (0.33) —
SCHEMBL25171446 0.75 PSMB10 (0.42) HTRA1PSMB5PSMB1PSMB8PSMB9
SCHEMBL25171447 0.75 PSMB10 (0.42) HTRA1PSMB5PSMB1PSMB8PSMB9
SCHEMBL25171448 0.75 PSMB10 (0.42) HTRA1PSMB5PSMB1PSMB8PSMB9

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-2021127460-A1 PCSK9 ANTAGONIST COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2021-06-24 — — WO disclosed
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