SCHEMBL28495663

SCHEMBL28495663

CCOC(C)O[C@H]1C(=O)N(C(=O)O)[C@H]1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.49
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ATM Q13315 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PYGM P11217 2/20 0.33
PYGL P06737 1/20 0.33
MDM2 Q00987 2/20 0.33
LMNA P02545 1/20 0.33
RIPK1 Q13546 1/20 0.33
POLB P06746 1/20 0.32
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32

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
SCHEMBL7729786 0.90 ELANE (0.47) ELANEKDM4EGAATSHRMEN1
SCHEMBL1134975 0.89 ELANE (0.46) ELANETSHRSMN1; SMN2NPSR1MEN1
SCHEMBL7732985 0.89 ELANE (0.46) ELANEKDM4EGAATSHRSMN1; SMN2
SCHEMBL5887434 0.89 ELANE (0.46) ELANETSHRSMN1; SMN2NPSR1MEN1
SCHEMBL5887440 0.89 ELANE (0.46) ELANETSHRSMN1; SMN2NPSR1MEN1
SCHEMBL5964086 0.89 ELANE (0.49) ELANEKDM4EGAATSHRSMN1; SMN2
SCHEMBL7778743 0.88 ELANE (0.45) ELANEKDM4EGAATSHRSMN1; SMN2
SCHEMBL5963742 0.87 ELANE (0.44) ELANEKDM4EGAATSHRSMN1; SMN2
SCHEMBL7772609 0.87 ELANE (0.47) ELANEKDM4EGAATSHRSMN1; SMN2
SCHEMBL5963529 0.87 ELANE (0.44) ELANEKDM4EGAATSHRMEN1

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
CN-107922329-B Process and intermediates for the preparation of water-soluble taxane derivatives 江苏恩华络康药物研发有限公司 2020-11-24 CN disclosed