SCHEMBL9613447

SCHEMBL9613447

CCC1OC(CO)C(O)C(O/C(=C\C2CCCCC2)C(=O)NO)C1OC(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 5/20 0.46
▸ LGALS9 O00182 4/20 0.46
▸ LGALS1 P09382 4/20 0.46
▸ LGALS7; LGALS7B P47929 3/20 0.46
▸ SELE P16581 2/20 0.39
▸ LGALS8 O00214 4/20 0.37
▸ LGALS4 P56470 1/20 0.36
▸ PTPN1 P18031 2/20 0.35
▸ SELP P16109 3/20 0.34
▸ MAOB P27338 1/20 0.33

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
SCHEMBL9613520 0.81 SELE (0.48) LGALS3LGALS9LGALS1LGALS7; LGALS7BSELE
SCHEMBL12942205 0.80 SELE (0.56) SELESELP
SCHEMBL12945076 0.79 SELE (0.51) SELESELP
SCHEMBL13824098 0.76 SELP (0.41) LGALS3LGALS9LGALS1LGALS7; LGALS7BSELE
SCHEMBL26102195 0.69 LGALS3 (0.70) LGALS3LGALS9LGALS1LGALS7; LGALS7BSELE
SCHEMBL13211174 0.69 LGALS3 (0.70) LGALS3LGALS9LGALS1LGALS7; LGALS7BSELE
SCHEMBL12482435 0.68 LGALS3 (0.76) LGALS3LGALS9LGALS1LGALS7; LGALS7BSELE
SCHEMBL29602262 0.67 LGALS3 (0.57) LGALS3LGALS9LGALS1LGALS7; LGALS7BSELE
SCHEMBL15177428 0.67 LGALS3 (0.67) LGALS3LGALS9LGALS1LGALS7; LGALS7BSELE
SCHEMBL17050854 0.67 LGALS3 (0.70) LGALS3LGALS9LGALS1LGALS7; LGALS7BSELE

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
EP-2457573-A1 Methods of use of glycomimetics with replacements for hexoses and N-Acetyl hexosamines GlycoMimetics, Inc. (US) 2012-05-30 — — EP disclosed
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