SCHEMBL28543770

SCHEMBL28543770

COC(=O)C[C@@H]1CCN(C(=O)O)CCO1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.39
PDK1 Q15118 6/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.33
MIF P14174 3/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL28543772 1.00 GLA (0.39) GLAPDK1KDM4EALDH1A1LMNA
SCHEMBL321971 0.81
SCHEMBL23581707 0.78 PDK1 (0.46) PDK1KDM4EALDH1A1LMNAPOLB
SCHEMBL20565204 0.78 PDK1 (0.46) PDK1KDM4EALDH1A1LMNAPOLB
SCHEMBL2210266 0.78 BRD4 (0.44) ALDH1A1POLB
SCHEMBL28542205 0.77 HTT (0.61)
SCHEMBL26077287 0.77 HTT (0.61)
SCHEMBL23581717 0.77 PDK1 (0.40) PDK1ALDH1A1
SCHEMBL23581716 0.77 PDK1 (0.40) PDK1ALDH1A1
SCHEMBL2125917 0.76 LMNA (0.50) KDM4EALDH1A1LMNAPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112384509-B Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2024-04-30 CN disclosed
CN-112384509-A Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2021-02-19 CN disclosed