SCHEMBL14089003

SCHEMBL14089003

CC(=O)NC1C(OC(C)C)OC(CO)C(O)C1OC1CC(C(=O)O)C(OC(C)C)C(O)C1O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.48
▸ THRB P10828 1/20 0.48
▸ MAPK1 P28482 2/20 0.47
▸ CD69 Q07108 1/20 0.41
▸ MAG P20916 6/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ LGALS8 O00214 1/20 0.37
▸ LGALS3 P17931 1/20 0.37
▸ LGALS4 P56470 1/20 0.37
▸ NOD2 Q9HC29 1/20 0.37

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
SCHEMBL14113910 0.85 LGALS3 (0.43) ALDH1A1THRBMAPK1CD69LGALS8
SCHEMBL25963088 0.82 MAPK1 (0.44) ALDH1A1THRBMAPK1CD69MAG
SCHEMBL16016954 0.80 CD69 (0.43) ALDH1A1THRBMAPK1CD69LGALS8
SCHEMBL25964076 0.77 MAPK1 (0.41) ALDH1A1THRBMAPK1CD69LGALS8
SCHEMBL19892618 0.77 MAPK1 (0.55) ALDH1A1THRBMAPK1CD69MAG
SCHEMBL24936522 0.76 ALDH1A1 (0.78) ALDH1A1THRBMAPK1CD69CA1
SCHEMBL23323248 0.76 ALDH1A1 (0.78) ALDH1A1THRBMAPK1CD69CA1
SCHEMBL20990354 0.76 ALDH1A1 (0.78) ALDH1A1THRBMAPK1CD69CA1
SCHEMBL23719677 0.76 ALDH1A1 (0.78) ALDH1A1THRBMAPK1CD69CA1
SCHEMBL21029771 0.76 ALDH1A1 (0.78) ALDH1A1THRBMAPK1CD69CA1

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-7417021-B2 Biologically active conjugate of a biopolymer and therapeutic agent GENZYME CORPORATION (US) 2008-08-26 — — US disclosed
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