SCHEMBL6740413

SCHEMBL6740413

CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 3/20 0.33
THRB P10828 2/20 0.33
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
HTT P42858 2/20 0.33
PKM P14618 2/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP1A2 P05177 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
PIN1 Q13526 1/20 0.32
GAA P10253 1/20 0.32
KDM4E B2RXH2 2/20 0.31
CYP2D6 P10635 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL6740405 0.87 TRPA1 (0.38) TSHRMEN1KMT2AALDH1A1THRB
SCHEMBL6738111 0.83 POLB (0.38) TSHRMEN1KMT2AALDH1A1THRB
SCHEMBL27186828 0.82 ALDH1A1 (0.43) MEN1KMT2AALDH1A1THRBCYP4F2
SCHEMBL8165793 0.80 ALDH1A1 (0.42) MEN1KMT2AALDH1A1THRBCYP4F2
SCHEMBL8166839 0.80 ALDH1A1 (0.42) MEN1KMT2AALDH1A1THRBCYP4F2
SCHEMBL7719668 0.79 MEN1 (0.38) MEN1KMT2AALDH1A1THRBCYP4F2
SCHEMBL4007477 0.78 ALDH1A1 (0.43) MEN1KMT2AALDH1A1THRBCYP4F2
SCHEMBL9438240 0.78 LMNA (0.42) TSHRMEN1KMT2AALDH1A1THRB
SCHEMBL8428202 0.77 TSHR (0.33) TSHRMEN1KMT2AALDH1A1THRB
SCHEMBL18337024 0.77 TSHR (0.40) TSHRMEN1KMT2AALDH1A1THRB

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-6689917-B2 Process for the preparation of perfluoroalkanones DAIKIN INDUSTRIES, LTD. (JP) 2004-02-10 US disclosed
US-20030144557-A1 Process for the preparation of perfluoroalkanones DAIKIN INDUSTRIES, LTD. (JP) 2003-07-31 US disclosed