SCHEMBL16633017

SCHEMBL16633017

CC(C)(C)c1cc2ccccc2c(S(=O)(=O)O)c1S(=O)(=O)O.[NaH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.48
NR1I2 O75469 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
MPL P40238 5/20 0.38
CTRC Q99895 2/20 0.38
CYP1A2 P05177 2/20 0.38
HIF1A Q16665 2/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
ATIC P31939 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CTRB1 P17538 1/20 0.35
TTR P02766 1/20 0.34
SUMO2 P61956 1/20 0.34
SUMO1 P63165 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP3 Q9H4L4 1/20 0.34
SENP2 Q9HC62 1/20 0.34

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
SCHEMBL7786038 0.98 CYP2D6 (0.49) CYP2D6NR1I2ALDH1A1HPGDMPL
SCHEMBL5552151 0.88 CYP2D6 (0.46) CYP2D6NR1I2ALDH1A1HPGDMPL
SCHEMBL12482334 0.86 CYP2D6 (0.43) CYP2D6NR1I2ALDH1A1HPGDMPL
SCHEMBL4000559 0.86 CYP2D6 (0.47) CYP2D6NR1I2ALDH1A1HPGDMPL
SCHEMBL29996901 0.86 CYP2D6 (0.47) CYP2D6NR1I2ALDH1A1HPGDMPL
SCHEMBL11418053 0.82 NR1I2 (0.43) CYP2D6NR1I2ALDH1A1HPGDMPL
SCHEMBL14813073 0.81 CYP2D6 (0.54) CYP2D6ALDH1A1HPGDMPLCTRC
SCHEMBL1247911 0.81 CYP2D6 (0.54) CYP2D6ALDH1A1HPGDMPLCTRC
SCHEMBL3495406 0.80 NR1I2 (0.44) CYP2D6NR1I2ALDH1A1HPGDMPL
SCHEMBL6283746 0.80 CYP2D6 (0.42) CYP2D6ALDH1A1HPGDMPLCTRC

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
EP-2869122-A1 METHOD FOR CONCENTRATING PROCESSING WASTE LIQUID AND METHOD FOR RECYCLING PROCESSING WASTE LIQUID Fujifilm Corporation (JP) 2015-05-06 EP disclosed
US-20150104746-A1 METHOD OF CONCENTRATING WASTE LIQUID PRODUCED BY DEVELOPMENT, AND METHOD OF RECYCLING WASTE LIQUID PRODUCED BY DEVELOPMENT FUJIFILM CORPORATION (JP) 2015-04-16 US disclosed