SCHEMBL28512095

SCHEMBL28512095

O=C(Cl)C=COCC(O)CO

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
DUSP3 P51452 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DGKA P23743 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL6274669 0.82 LMNA (0.33) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL28192392 0.82 LMNA (0.33) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL2914736 0.75 TSHR (0.38) ALDH1A1
SCHEMBL7684656 0.75 TSHR (0.38) ALDH1A1
SCHEMBL25366726 0.72
SCHEMBL6667563 0.72 LMNA (0.38) LMNAKDM4EALDH1A1
SCHEMBL20475887 0.71 GAPDH (0.35) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL28225626 0.71 AR (0.33) LMNAALDH1A1
SCHEMBL28829221 0.71 ALDH1A1 (0.33) LMNAALDH1A1
SCHEMBL22348456 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112168980-B Gene-activated antibacterial bioactive bone repair material and preparation method and application thereof 西安交通大学 2021-10-01 CN claimed
CN-112168980-A Gene-activated antibacterial bioactive bone repair material and preparation method and application thereof 西安交通大学 2021-01-05 CN claimed
CN-112168980-B Gene-activated antibacterial bioactive bone repair material and preparation method and application thereof 西安交通大学 2021-10-01 CN disclosed
CN-112168980-A Gene-activated antibacterial bioactive bone repair material and preparation method and application thereof 西安交通大学 2021-01-05 CN disclosed