SCHEMBL16774644

SCHEMBL16774644

O=C(OCc1ccccc1)C(=C(F)F)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
MEN1 O00255 1/20 0.47
CES1 P23141 1/20 0.44
LMNA P02545 2/20 0.44
HCAR2 Q8TDS4 1/20 0.44
HTT P42858 1/20 0.42
PTPRC P08575 1/20 0.42
PTPN1 P18031 1/20 0.42

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
SCHEMBL20653706 0.84 KMT2A (0.52) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL14101169 0.81 ALDH1A1 (0.53) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL6587049 0.78 ALDH1A1 (0.59) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL2833900 0.78 ALDH1A1 (0.50) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL27144 0.78 ALDH1A1 (0.68) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL3296385 0.77 ALDH1A1 (0.57) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
Trifluoroacetic Acid SCHEMBL28101939 0.76 ALDH1A1 (0.79) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL1320975 0.75 ALDH1A1 (0.55) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL5352382 0.75 ALDH1A1 (0.46) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL27923357 0.75 ALDH1A1 (0.55) ALDH1A1KMT2ATDP1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111923532-A Preparation method of wear-resistant flame-retardant heat-insulation non-woven fabric 朱建余 2020-11-13 CN claimed
CN-111923532-A Preparation method of wear-resistant flame-retardant heat-insulation non-woven fabric 朱建余 2020-11-13 CN disclosed
EP-2401309-B1 ELECTRICALLY ISOLATING POLYMER COMPOSITION CORNING INC (US) 2015-06-17 EP disclosed