SCHEMBL28139029

SCHEMBL28139029

CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)NCC(=O)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 6/20 0.45
▸ CTSK P43235 6/20 0.45
▸ CTSL P07711 5/20 0.45
▸ CTSB P07858 3/20 0.45
▸ FURIN P09958 4/20 0.43
▸ ANPEP P15144 2/20 0.43
▸ CAPN1 P07384 1/20 0.41

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
SCHEMBL27316483 0.86 CTSK (0.48) CTSSCTSKCTSLCTSBANPEP
SCHEMBL27668472 0.86 LTA4H (0.45) FURIN
SCHEMBL30973589 0.85 BCL9 (0.46) —
SCHEMBL28130928 0.80 MMP2 (0.48) CTSLCTSB
SCHEMBL15095476 0.79 CTSK (0.50) CTSSCTSKCTSLCTSBANPEP
SCHEMBL29250281 0.78 BCL9 (0.38) CTSL
SCHEMBL28110893 0.78 SLC1A3 (0.42) FURIN
SCHEMBL29569076 0.77 MME (0.54) CTSB
SCHEMBL6657992 0.77 ALDH1A1 (0.46) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL3495921 0.77 ALDH1A1 (0.46) CTSSCTSKCTSLCTSBCAPN1

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
CN-104755482-B functionalized 9-bromo-camptothecin derivatives 内尔维阿诺医学科学有限公司 2017-04-26 — — CN disclosed
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