SCHEMBL24642902

SCHEMBL24642902

CC(C)[C@H](NO)C(=O)N[C@@H](CCCCN(C)C)C(=O)NCC(=O)NCO

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NMT2 O60551 1/20 0.33
▸ NMT1 P30419 1/20 0.33
▸ FURIN P09958 1/20 0.32
▸ F10 P00742 1/20 0.31
▸ MMP1 P03956 2/20 0.30
▸ MMP2 P08253 1/20 0.30
▸ MMP3 P08254 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
SCHEMBL24642328 0.92 CAPN1 (0.35) NMT2NMT1FURINF10MMP1
SCHEMBL24642540 0.88 FURIN (0.32) NMT2NMT1FURIN
SCHEMBL24642832 0.88 ECE1 (0.38) FURIN
SCHEMBL24642903 0.87 SIRT2 (0.34) NMT2NMT1FURIN
SCHEMBL24642695 0.87 FURIN (0.30) FURIN
SCHEMBL24642332 0.85 NMT1 (0.46) NMT2NMT1FURIN
SCHEMBL26542446 0.82 — —
SCHEMBL24642327 0.80 SIRT2 (0.34) FURIN
SCHEMBL24642569 0.78 GLO1 (0.37) FURIN
SCHEMBL24642309 0.77 GLO1 (0.37) FURINMMP3

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-2022170971-A1 BIOACTIVE SUBSTANCE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF 苏州宜联生物医药有限公司 2022-08-18 — — WO disclosed
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