SCHEMBL9251691

SCHEMBL9251691

CCOCCOc1ccc(N)cc1S(=O)(=O)O.[NaH]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 4/20 0.41
GAA P10253 4/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 2/20 0.41
TP53 P04637 1/20 0.41
CASP1 P29466 1/20 0.41
HTT P42858 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
NCF1 P14598 4/20 0.39
RAPGEF4 Q8WZA2 1/20 0.38
RECQL P46063 2/20 0.38
CASP6 P55212 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38

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
SCHEMBL11284193 0.99 HSD17B10 (0.50) HSD17B10KDM4EGAAMAPTALDH1A1
SCHEMBL11284689 0.89 KDM4E (0.48) HSD17B10KDM4EGAAMAPTALDH1A1
SCHEMBL11111265 0.86 HSD17B10 (0.45) HSD17B10KDM4EGAAMAPTALDH1A1
SCHEMBL1606275 0.85 MAPT (0.57) HSD17B10KDM4EGAAMAPTALDH1A1
SCHEMBL5677336 0.85 HSD17B10 (0.63) HSD17B10KDM4EGAAMAPTALDH1A1
SCHEMBL156095 0.84 HSD17B10 (0.49) HSD17B10KDM4EGAAMAPTALDH1A1
SCHEMBL10788421 0.84 HSD17B10 (0.46) HSD17B10KDM4EGAAMAPTALDH1A1
SCHEMBL9251684 0.83 GAA (0.41) HSD17B10KDM4EGAAMAPTALDH1A1
SCHEMBL156474 0.82 S1PR3 (0.53) HSD17B10KDM4EGAAMAPTALDH1A1
SCHEMBL3444651 0.82 S1PR3 (0.53) HSD17B10KDM4EGAAMAPTALDH1A1

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
US-5409808-A Excellent sensitivity and gradation; improved storage stability FUJI PHOTO FILM CO., LTD. (JP) 1995-04-25 US disclosed