SCHEMBL6441222

SCHEMBL6441222

CCOC(=O)C(C(=O)c1sc(C)c(OC)c1F)C(=O)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 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
SCHEMBL4940887 0.71 SOAT1 (0.41) ALDH1A1ALOX15MAPT
SCHEMBL6440514 0.70
SCHEMBL6441213 0.70 ALDH1A1 (0.32) ALDH1A1MEN1KMT2A
SCHEMBL1085238 0.67 ALDH1A1 (0.38) ALDH1A1MAPT
SCHEMBL942071 0.65 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AHPGD
SCHEMBL2001451 0.65 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AHPGD
SCHEMBL2199236 0.64 GAA (0.38) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL2197500 0.64 GAA (0.40) ALDH1A1KMT2AMAPTMAPK1
SCHEMBL9376935 0.63 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL4481930 0.62 TP53 (0.37) ALDH1A1MEN1KMT2ATP53MAPT

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
EP-1066237-B1 PROCESSES FOR PREPARING INTERMEDIATES BAYER CROPSCIENCE SA (FR) 2005-07-20 EP disclosed
US-6642418-B1 1,3-dione compounds from beta keto esters AVENTIS CROPSCIENCE SA (FR) 2003-11-04 US disclosed
EP-1066237-A2 PROCESSES FOR PREPARING INTERMEDIATES AVENTIS CROPSCIENCE S.A. (FR) 2001-01-10 EP disclosed
WO-1999048851-A2 PROCESSES FOR PREPARING INTERMEDIATES AVENTIS CROPSCIENCE S.A. (FR) 1999-09-30 WO disclosed