SCHEMBL6508984

SCHEMBL6508984

COc1cc(C=O)ccc1OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.58
TSHR P16473 1/20 0.58
FDPS P14324 1/20 0.51
TTR P02766 1/20 0.48
HPGD P15428 2/20 0.46
AOX1 Q06278 1/20 0.46
TRIM24 O15164 1/20 0.46
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
POLB P06746 1/20 0.43
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL30049249 0.82 ALDH1A1 (0.70) ALDH1A1TSHRFDPSTTRHPGD
SCHEMBL18239636 0.82 ALDH1A1 (0.70) ALDH1A1TSHRFDPSTTRHPGD
SCHEMBL6508979 0.78 FDPS (0.63) ALDH1A1TSHRFDPSHPGDPOLB
SCHEMBL2583316 0.77 ALDH1A1 (0.72) ALDH1A1TSHRFDPSTTRHPGD
SCHEMBL1414779 0.77 ALDH1A1 (0.62) ALDH1A1TSHRFDPSTTRHPGD
SCHEMBL9142401 0.76 CA12 (0.59) ALDH1A1TSHRTTRHTTLMNA
SCHEMBL1869030 0.76 ALDH1A1 (0.84) ALDH1A1TSHRFDPSTTRHPGD
3,4-Dimethoxybenzaldehyde SCHEMBL5308959 0.76 ALDH1A1 (1.00) ALDH1A1TSHRFDPSTTRHPGD
3,4-Dimethoxybenzaldehyde SCHEMBL1330962 0.76 ALDH1A1 (1.00) ALDH1A1TSHRFDPSTTRHPGD
3,4-Dimethoxybenzaldehyde SCHEMBL25202 0.76 ALDH1A1 (1.00) ALDH1A1TSHRFDPSTTRHPGD

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
EP-1610176-A2 UV decomposable molecules and a photopatternable monomolecular film formed therefrom SEIKO EPSON CORPORATION (JP) 2005-12-28 EP disclosed