SCHEMBL28069979

SCHEMBL28069979

O=S(=O)(O)c1ccc2cc3cc4cc5cc(S(=O)(=O)O)ccc5cc4cc3cc2c1.[NaH]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.56
ALDH1A1 P00352 5/20 0.55
HSD17B10 Q99714 4/20 0.55
CASP6 P55212 3/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
NT5E P21589 4/20 0.47
LMNA P02545 2/20 0.46
TSHR P16473 3/20 0.44
TDP1 Q9NUW8 2/20 0.43
NSD2 O96028 2/20 0.43
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43
PTPN11 Q06124 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 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
SCHEMBL686760 0.98 SNCA (0.58) SNCAALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL2898632 0.98 SNCA (0.58) SNCAALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL29987381 0.98 SNCA (0.58) SNCAALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL3101290 0.95 SNCA (0.60) SNCAALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL836622 0.95 SNCA (0.60) SNCAALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL28132169 0.94 SNCA (0.61) SNCAALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL686698 0.94 SNCA (0.61) SNCAALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL28501502 0.93 ALDH1A1 (0.57) SNCAALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL5349969 0.93 ALDH1A1 (0.57) SNCAALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL3822707 0.93 ALDH1A1 (0.57) SNCAALDH1A1HSD17B10CASP6CYP2C9

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
CN-104387395-B The preparation method of a kind of method of purification Kelin bulk drug 常州大学 2016-06-15 CN disclosed