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Sugi Predict / Compounds / SCHEMBL15870733

SCHEMBL15870733

SCHEMBL15870733

CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](C)[C@@H](C)O[C@H]1OC(CO)[C@H](O)[C@H](O[C@@H]2OC(CO)[C@H](O)C(O[C@]3(C(=O)O)C[C@@H](O)[C@@H](N)C([C@H](O)[C@H](O)CO)O3)[C@@H]2O)C1C)C(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAG P20916 9/20 0.44
▸ SELP P16109 2/20 0.38
▸ SIGLEC7 Q9Y286 6/20 0.37
▸ SELL P14151 1/20 0.35

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
SCHEMBL12199667 0.77 MAG (0.52) MAGSELPSIGLEC7SELL
SCHEMBL16326661 0.75 SIGLEC7 (0.43) MAGSELPSIGLEC7SELL
SCHEMBL16311637 0.73 MAG (0.41) MAG
SCHEMBL16311640 0.73 MAG (0.41) MAG
SCHEMBL16311687 0.73 MAG (0.41) MAG
SCHEMBL16311706 0.73 MAG (0.41) MAG
SCHEMBL2632655 0.73 MAG (0.41) MAG
SCHEMBL18333606 0.73 MAG (0.53) MAGSELPSIGLEC7SELL
SCHEMBL16311677 0.72 MAG (0.41) MAG
SCHEMBL18011724 0.72 SIGLEC7 (0.53) MAGSELPSIGLEC7SELL

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-9075045-B2 Cell-based detection of APF through its interaction with CKAP4 for diagnosis of interstitial cystitis THE COMMONWEALTH MEDICAL COLLEGE (US) 2015-07-07 — — US disclosed
US-20140193835-A1 CELL-BASED DETECTION OF APF THROUGH ITS INTERACTION WITH CKAP4 FOR DIAGNOSIS OF INTERSTITIAL CYSTITIS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2014-07-10 — — US disclosed
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