SCHEMBL13839153

SCHEMBL13839153

CNC1C(O)CC(OC(C)C)(C(=O)O)OC1[C@H](O)[C@H](O)CO

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NANP Q8TBE9 3/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ SELL P14151 1/20 0.40
▸ SELP P16109 1/20 0.40
▸ MAG P20916 3/20 0.39
▸ SIGLEC7 Q9Y286 5/20 0.39
▸ CD22 P20273 4/20 0.39

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
SCHEMBL29226087 0.89 NANP (0.60) NANPL3MBTL1SELLSELPMAG
SCHEMBL17722652 0.88 NANP (0.61) NANPL3MBTL1SELLSELPMAG
SCHEMBL13477003 0.85 L3MBTL1 (0.46) NANPL3MBTL1SELLSELPMAG
SCHEMBL14000588 0.83 NANP (0.45) NANPL3MBTL1SELLSELPMAG
SCHEMBL18871953 0.81 NANP (0.46) NANPL3MBTL1SELLSELPMAG
SCHEMBL12341462 0.81 NANP (0.47) NANPSELLSELPMAGSIGLEC7
SCHEMBL13402335 0.81 NANP (0.43) NANPSELLSELPMAGSIGLEC7
SCHEMBL29226049 0.80 NANP (0.57) NANPSELLSELPMAGSIGLEC7
SCHEMBL25576105 0.80 NANP (0.57) NANPSELLSELPMAGSIGLEC7
SCHEMBL14752226 0.79 NANP (0.43) NANPSELLSELPMAGSIGLEC7

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-7527934-B2 Labeled substrate conjugates for identifying enzyme inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-05-05 — — US disclosed
Send feedback