SCHEMBL22899114

SCHEMBL22899114

CC(=O)NC1C(OC(C)=O)[C@@H](OC(C)=O)C(COC(C)=O)O[C@@H]1CCCCCOC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ POLB P06746 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ CYP3A4 P08684 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ CA1 P00915 9/20 0.44
▸ CA2 P00918 9/20 0.44
▸ CA9 Q16790 9/20 0.44
▸ CA12 O43570 8/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ NR3C1 P04150 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ ADRA2A P08913 1/20 0.42

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
SCHEMBL18349642 0.89 LMNA (0.49) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL25977709 0.88 LMNA (0.51) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL16393076 0.88 LMNA (0.51) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL18349656 0.88 LMNA (0.48) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL16393168 0.88 LMNA (0.51) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL25977690 0.88 LMNA (0.51) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL17417919 0.87 LMNA (0.52) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL31295512 0.86 LMNA (0.49) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL16393065 0.85 LMNA (0.54) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL30980616 0.85 LMNA (0.54) LMNAKMT2APOLBALDH1A1CYP3A4

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-3130596-B1 GLUCOSE DERIVATIVE, AND CELL IMAGING METHOD AND IMAGING AGENT USING SAID DERIVATIVE UNIV HIROSAKI (JP) 2021-01-20 — — EP disclosed
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