SCHEMBL571864

SCHEMBL571864

O=S(=O)(/C=C\C(F)(F)F)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.59
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NFE2L2 Q16236 6/20 0.41
HTR6 P50406 1/20 0.41
EGFR P00533 1/20 0.40
APOBEC3G Q9HC16 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA5A P35218 2/20 0.38
CA9 Q16790 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 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
SCHEMBL2828908 1.00 TLR9 (0.59) TLR9ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL571865 1.00 TLR9 (0.59) TLR9ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2787588 0.84 TLR9 (0.80) TLR9ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL1344341 0.84 TLR9 (0.80) TLR9ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL1344338 0.84 TLR9 (0.80) TLR9ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL777365 0.80 TLR9 (0.67) TLR9ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL777364 0.80 TLR9 (0.67) TLR9ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL38660117 0.80 TLR9 (0.55) TLR9ALDH1A1NFE2L2EGFRTSHR
SCHEMBL11845104 0.80 TLR9 (0.45) TLR9ALDH1A1CYP2C9NFE2L2HTR6
SCHEMBL7932074 0.80 TLR9 (0.73) TLR9ALDH1A1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601048-A2 COMPOSITIONS AND METHODS FOR DETECTION OF SOILS ON FABRICS The Sun Products Corporation (US) 2013-06-12 EP disclosed
US-20120196375-A1 Compositions and Methods for Detection of Soils on Fabrics THE SUN PRODUCTS CORPORATION (US) 2012-08-02 US disclosed
WO-2012019030-A2 COMPOSITIONS AND METHODS FOR DETECTION OF SOILS ON FABRICS THE SUN PRODUCTS CORPORATION (US) 2012-02-09 WO disclosed
EP-0278732-B1 FLUORINE-CONTAINING VITAMIN D2 DERIVATIVES TAISHO PHARMACEUTICAL CO. LTD (JP) 1992-01-08 EP disclosed
US-5047564-A Osteoporosis TAISHO PHARMACEUTICAL CO., LTD. (JP) 1991-09-10 US disclosed
EP-0278732-A1 Fluorine-containing vitamin D2 derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1988-08-17 EP disclosed