SCHEMBL18888212

SCHEMBL18888212

CCC(C)[C@H](NC(=O)CN)C(=O)N[C@@H](CC(C)C)C(O)C(O)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)O)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 19/20 0.62
▸ REN P00797 2/20 0.62

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
SCHEMBL14164206 0.86 CTSD (0.57) CTSDREN
SCHEMBL17758184 0.81 CTSD (0.92) CTSD
SCHEMBL17758181 0.81 CTSD (0.92) CTSD
SCHEMBL18745905 0.81 CTSD (0.87) CTSDREN
SCHEMBL15606240 0.81 CTSD (0.87) CTSDREN
SCHEMBL16990489 0.81 CTSD (0.87) CTSDREN
SCHEMBL16990486 0.81 CTSD (0.87) CTSDREN
SCHEMBL20495546 0.81 CTSD (0.87) CTSDREN
SCHEMBL16990484 0.81 CTSD (0.87) CTSDREN
SCHEMBL16990574 0.81 CTSD (0.87) CTSDREN

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
US-20170145060-A9 MEANS AND METHODS FOR BREAKING NONCOVALENT BINDING INTERACTIONS BETWEEN MOLECULES HET NEDERLANDS KANKER INSTITUUT (NL) 2017-05-25 — — US disclosed
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