SCHEMBL8440606

SCHEMBL8440606

O=C(OOCC(O)CO)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 6)

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
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
SCHEMBL20225119 0.79 LMNA (0.42) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL28248348 0.78 LMNA (0.41) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL4801146 0.72 LMNA (0.39) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL3380530 0.71 LMNA (0.34) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL30755 0.69 LMNA (0.53) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL8071078 0.69 LMNA (0.37) LMNAKDM4EDUSP3MEN1KMT2A
Trifluoroacetic Acid SCHEMBL29117404 0.69 LMNA (0.41) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL4808325 0.69 LMNA (0.44) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL28363636 0.69 LMNA (0.37) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL7623085 0.68 ALDH1A1 (0.39) LMNAKDM4EDUSP3MEN1KMT2A

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
US-5872135-A ENZYME INHIBITORS MERK & CO., INC. (US) 1999-02-16 US disclosed
WO-1996010035-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-04-04 WO disclosed