SCHEMBL27618019

SCHEMBL27618019

COc1cc(C=O)ccc1OS(=O)(=O)OP(=O)(O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.57
TSHR P16473 1/20 0.57
FDPS P14324 1/20 0.50
HPGD P15428 4/20 0.49
AOX1 Q06278 1/20 0.49
TRIM24 O15164 1/20 0.49
ALDH5A1 P51649 1/20 0.49
ABAT P80404 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TRIM33 Q9UPN9 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
POLB P06746 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TTR P02766 1/20 0.47
MAPK1 P28482 1/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL2945586 0.85 ALDH1A1 (0.72) ALDH1A1TSHRFDPSHPGDAOX1
SCHEMBL27849260 0.82 ALDH1A1 (0.68) ALDH1A1TSHRFDPSHPGDAOX1
SCHEMBL1317428 0.79 ALDH1A1 (0.68) ALDH1A1TSHRFDPSHPGDAOX1
SCHEMBL5448978 0.79 ALDH1A1 (0.68) ALDH1A1TSHRFDPSHPGDAOX1
Methyl Alcohol SCHEMBL17103140 0.78 ALDH1A1 (0.66) ALDH1A1TSHRFDPSHPGDAOX1
SCHEMBL6132027 0.77 ALDH1A1 (0.70) ALDH1A1TSHRFDPSHPGDAOX1
SCHEMBL27597670 0.77 ALDH1A1 (0.60) ALDH1A1TSHRFDPSHPGDAOX1
SCHEMBL17892696 0.77 ALDH1A1 (0.55) ALDH1A1TSHRFDPSHPGDAOX1
SCHEMBL17318083 0.76 ALDH1A1 (0.68) ALDH1A1TSHRFDPSHPGDAOX1
SCHEMBL27472353 0.76 ALDH1A1 (0.68) ALDH1A1TSHRFDPSHPGDAOX1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100529842-C Highly safe silicone-containing material for ocular lens and process for producing the same MENICON CO LTD (JP) 2009-08-19 CN disclosed
CN-1723411-A High-safety ophthalmic lens material containing silicone and method for producing same MENICON CO LTD (JP) 2006-01-18 CN disclosed