SCHEMBL17830304

SCHEMBL17830304

CO[C@@H]1OC(C(=O)O)[C@@H](O[C@@H]2OC(C(=O)O)[C@@H](OC)[C@H](O)C2O)[C@H](O)C1C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 6/20 0.41
▸ CXCL10 P02778 1/20 0.36
▸ CXCL8 P10145 1/20 0.36
▸ CCL2 P13500 1/20 0.36
▸ CCL5 P13501 1/20 0.36
▸ CXCL12 P48061 1/20 0.36
▸ SERPINC1 P01008 2/20 0.35
▸ M6PR P20645 1/20 0.35
▸ FGF1 P05230 3/20 0.34
▸ BDNF P23560 3/20 0.33
▸ PTN P21246 2/20 0.33
▸ MDK P21741 2/20 0.33
▸ LGALS8 O00214 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ AMY2A P04746 1/20 0.30

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
SCHEMBL17267229 0.99 F10 (0.40) F10CXCL10CXCL8CCL2CCL5
SCHEMBL12384884 0.91 F10 (0.43) F10CXCL10CXCL8CCL2CCL5
SCHEMBL20370858 0.91 F10 (0.43) F10CXCL10CXCL8CCL2CCL5
SCHEMBL18309852 0.91 F10 (0.43) F10CXCL10CXCL8CCL2CCL5
SCHEMBL12458629 0.91 F10 (0.43) F10CXCL10CXCL8CCL2CCL5
SCHEMBL12878540 0.91 F10 (0.43) F10CXCL10CXCL8CCL2CCL5
SCHEMBL20363815 0.91 F10 (0.43) F10CXCL10CXCL8CCL2CCL5
SCHEMBL12755226 0.91 F10 (0.43) F10CXCL10CXCL8CCL2CCL5
SCHEMBL22139521 0.91 F10 (0.43) F10CXCL10CXCL8CCL2CCL5
SCHEMBL20363547 0.91 F10 (0.43) F10CXCL10CXCL8CCL2CCL5

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-20160168613-A1 DEVICE AND METHODS OF USING DEVICE FOR DETECTION OF AMINOACIDOPATHIES CHILDREN'S NATIONAL MEDICAL CENTER 2016-06-16 — — US disclosed
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