SCHEMBL13461633

SCHEMBL13461633

CC(=O)OCC1O[C@@H](OC(C)=O)C(N2C(=O)c3ccccc3C2=O)C(OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.54
▸ LMNA P02545 3/20 0.53
▸ P4HB P07237 1/20 0.49
▸ PDIA4 P13667 1/20 0.49
▸ PDIA3 P30101 1/20 0.49
▸ KMT2A Q03164 1/20 0.48
▸ PRKCA P17252 1/20 0.48
▸ AKT1 P31749 1/20 0.48
▸ PTK2 Q05397 1/20 0.48
▸ THRB P10828 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ PTPN1 P18031 1/20 0.47
▸ CYP2D6 P10635 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ PAX8 Q06710 1/20 0.46
▸ TGM2 P21980 1/20 0.45
▸ CA12 O43570 2/20 0.45
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45

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
SCHEMBL31513646 1.00 TSHR (0.54) TSHRLMNAP4HBPDIA4PDIA3
SCHEMBL16327524 1.00 TSHR (0.54) TSHRLMNAP4HBPDIA4PDIA3
SCHEMBL230378 1.00 TSHR (0.54) TSHRLMNAP4HBPDIA4PDIA3
SCHEMBL2786496 1.00 TSHR (0.54) TSHRLMNAP4HBPDIA4PDIA3
SCHEMBL7028051 1.00 TSHR (0.54) TSHRLMNAP4HBPDIA4PDIA3
SCHEMBL230379 1.00 TSHR (0.54) TSHRLMNAP4HBPDIA4PDIA3
SCHEMBL13435245 1.00 TSHR (0.54) TSHRLMNAP4HBPDIA4PDIA3
SCHEMBL1527155 1.00 TSHR (0.54) TSHRLMNAP4HBPDIA4PDIA3
SCHEMBL7028056 1.00 TSHR (0.54) TSHRLMNAP4HBPDIA4PDIA3
SCHEMBL31180770 1.00 TSHR (0.54) TSHRLMNAP4HBPDIA4PDIA3

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
WO-2008001109-A2 METHOD OF COVALENTLY LINKING A CARBOHYDRATE OR POLYALKYLENE OXIDE TO A PEPTIDE, PRECURSORS FOR USE IN THE METHOD AND RESULTANT PRODUCTS UCL BUSINESS PLC (GB) 2008-01-03 — — WO disclosed
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