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Sugi Predict / Compounds / SCHEMBL13201644

SCHEMBL13201644

SCHEMBL13201644

CCC(C)C(NC(=O)CCN)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ENPEP Q07075 7/20 0.42
▸ CTSD P07339 2/20 0.42
▸ REN P00797 1/20 0.42
▸ CTSB P07858 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ BACE1 P56817 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL12713384 0.90 ELANE (0.39) CTSDRENCTSBCTSK
SCHEMBL14298968 0.90 PLA2G2A (0.42) ENPEPCTSDRENCTSBCTSK
SCHEMBL20769310 0.85 ENPEP (0.44) ENPEPCTSBCTSKALDH1A1
SCHEMBL20769311 0.85 ENPEP (0.44) ENPEPCTSBCTSKALDH1A1
SCHEMBL3396691 0.84 ALDH1A1 (0.46) ENPEPCTSDALDH1A1
SCHEMBL3396696 0.84 ALDH1A1 (0.46) ENPEPCTSDALDH1A1
SCHEMBL15692392 0.84 ALDH1A1 (0.46) ENPEPCTSDRENALDH1A1
SCHEMBL13451981 0.84 ALDH1A1 (0.46) ALDH1A1
SCHEMBL29358824 0.84 ALDH1A1 (0.46) ALDH1A1
SCHEMBL29582522 0.84 CTSD (0.45) ENPEPCTSDCTSBCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7771962-B2 CD10-activated prodrug compounds MEDAREX, INC. (US) 2010-08-10 — — US disclosed
US-20090136980-A1 CD10-activated prodrug compounds MEDAREX, INC. (US) 2009-05-28 — — US disclosed