SCHEMBL23873368

SCHEMBL23873368

CC(=O)OC[C@H]1O[C@@H](N2C(=O)c3ccccc3C2=O)C(OC(C)=O)C1OC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.57
▸ THRB P10828 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ PRKCA P17252 1/20 0.52
▸ AKT1 P31749 1/20 0.52
▸ PTK2 Q05397 1/20 0.52
▸ GALR3 O60755 1/20 0.52
▸ PTPN1 P18031 1/20 0.49
▸ P4HB P07237 2/20 0.47
▸ PDIA4 P13667 1/20 0.47
▸ PDIA3 P30101 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ CA1 P00915 5/20 0.46
▸ CA2 P00918 5/20 0.46

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
SCHEMBL26440811 0.88 LMNA (0.43) LMNATHRBSMN1; SMN2HIF1ATSHR
SCHEMBL13435245 0.85 TSHR (0.54) LMNATHRBSMN1; SMN2HIF1ATSHR
SCHEMBL8399731 0.85 TSHR (0.54) LMNATHRBSMN1; SMN2HIF1ATSHR
SCHEMBL14302585 0.85 TSHR (0.54) LMNATHRBSMN1; SMN2HIF1ATSHR
SCHEMBL13461633 0.85 TSHR (0.54) LMNATHRBSMN1; SMN2HIF1ATSHR
SCHEMBL7028051 0.85 TSHR (0.54) LMNATHRBSMN1; SMN2HIF1ATSHR
SCHEMBL16327524 0.85 TSHR (0.54) LMNATHRBSMN1; SMN2HIF1ATSHR
SCHEMBL230379 0.85 TSHR (0.54) LMNATHRBSMN1; SMN2HIF1ATSHR
SCHEMBL7028056 0.85 TSHR (0.54) LMNATHRBSMN1; SMN2HIF1ATSHR
SCHEMBL1527155 0.85 TSHR (0.54) LMNATHRBSMN1; SMN2HIF1ATSHR

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-2021191830-A1 METHODS AND REAGENTS FOR SYNTHESIZING NUCLEOSIDES AND ANALOGUES THEREOF SIMON FRASER UNIVERSITY (CA) 2021-09-30 — — WO disclosed
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