SCHEMBL4335850

SCHEMBL4335850

CC(F)C(F)COC(=O)OCC(F)C(C)F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS1 P23219 1/20 0.33
APEX1 P27695 1/20 0.33
THPO P40225 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 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
SCHEMBL4335854 0.83 TSHR (0.31) TSHR
SCHEMBL25953842 0.79
SCHEMBL609447 0.79 ALDH1A1 (0.41) ALDH1A1TDP1MEN1LMNACYP3A4
SCHEMBL2349139 0.74 ALDH1A1 (0.41) ALDH1A1TDP1MEN1LMNACYP3A4
SCHEMBL25456020 0.73 SMN1; SMN2 (0.32) ALDH1A1TSHR
SCHEMBL25953841 0.73
SCHEMBL320430 0.73 ALDH1A1 (0.38) ALDH1A1TDP1
SCHEMBL25435787 0.73 TSHR (0.54) ALDH1A1TDP1MEN1LMNACYP3A4
SCHEMBL37351 0.73 TSHR (0.54) ALDH1A1TDP1MEN1LMNACYP3A4
SCHEMBL25170710 0.72 MEN1 (0.39) ALDH1A1MEN1CYP2C9KMT2ATSHR

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
US-20090253044-A1 Nonaqueous Electrolyte and Lithium ion Secondary Battery Using Same MITSUI CHEMICALS, INC. (JP) 2009-10-08 US disclosed