SCHEMBL10697552

SCHEMBL10697552

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
SNCA P37840 1/20 0.36
ALDH1A1 P00352 7/20 0.35
HSD17B10 Q99714 3/20 0.35
LMNA P02545 4/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
AGER Q15109 1/20 0.33
TP53 P04637 1/20 0.33
PTGS2 P35354 1/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 2/20 0.33
NT5E P21589 1/20 0.32
PHLPP2 Q6ZVD8 1/20 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
SCHEMBL27614675 0.84 HTT (0.35) HTTSNCAALDH1A1HSD17B10LMNA
SCHEMBL776507 0.83 HTT (0.39) HTTSNCAALDH1A1HSD17B10LMNA
SCHEMBL775990 0.81 HTT (0.41) HTTSNCAALDH1A1HSD17B10LMNA
SCHEMBL7501507 0.80 ALDH1A1 (0.38) HTTSNCAALDH1A1HSD17B10LMNA
SCHEMBL15229567 0.79 HTT (0.40) HTTSNCAALDH1A1HSD17B10LMNA
SCHEMBL9101581 0.78 HTT (0.43) HTTSNCAALDH1A1HSD17B10LMNA
SCHEMBL17417188 0.78 HTT (0.54) HTTSNCAALDH1A1HSD17B10LMNA
SCHEMBL600325 0.77 ALDH1A1 (0.36) HTTSNCAALDH1A1HSD17B10LMNA
SCHEMBL9702372 0.77 ALDH1A1 (0.34) HTTSNCAALDH1A1HSD17B10LMNA
SCHEMBL29029868 0.76 LMNA (0.41) HTTSNCAALDH1A1HSD17B10LMNA

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-0281907-A1 Thiazolyl ether and thioether derivatives BAYER AG (DE) 1988-09-14 EP disclosed