SCHEMBL9702372

SCHEMBL9702372

Cc1ccc(S(=O)(=O)O)cc1C(F)CC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
HTT P42858 2/20 0.34
SNCA P37840 1/20 0.33
HSD17B10 Q99714 3/20 0.33
LMNA P02545 3/20 0.32
CASR P41180 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
APEX1 P27695 1/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
PHLPP2 Q6ZVD8 1/20 0.30

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
SCHEMBL600325 0.83 ALDH1A1 (0.36) ALDH1A1HTTSNCAHSD17B10LMNA
SCHEMBL776507 0.79 HTT (0.39) ALDH1A1HTTSNCAHSD17B10LMNA
SCHEMBL775990 0.78 HTT (0.41) ALDH1A1HTTSNCAHSD17B10LMNA
SCHEMBL27614675 0.78 HTT (0.35) ALDH1A1HTTSNCAHSD17B10LMNA
SCHEMBL10697552 0.77 HTT (0.36) ALDH1A1HTTSNCAHSD17B10LMNA
SCHEMBL7501507 0.76 ALDH1A1 (0.38) ALDH1A1HTTSNCAHSD17B10LMNA
SCHEMBL15229567 0.75 HTT (0.40) ALDH1A1HTTSNCAHSD17B10LMNA
SCHEMBL17417188 0.74 HTT (0.54) ALDH1A1HTTSNCAHSD17B10LMNA
SCHEMBL9101581 0.74 HTT (0.43) ALDH1A1HTTSNCAHSD17B10LMNA
SCHEMBL9568576 0.73 HTT (0.38) ALDH1A1HTTSNCAHSD17B10LMNA

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
WO-1992011400-A1 AZEOTROPE-LIKE COMPOSITIONS OF DICHLOROPENTAFLUOROPROPANE, AN ALKANOL HAVING 1-3 CARBON ATOMS AND 2-METHYL-2-PROPANOL ALLIED-SIGNAL INC. (US) 1992-07-09 WO disclosed