SCHEMBL537547

SCHEMBL537547

O=S(=O)(c1cccc(-c2ccccc2)c1-c1ccccc1)c1cccc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.42
PTGS2 P35354 1/20 0.42
HNF4A P41235 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
CASP1 P29466 1/20 0.38
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
BCL2L1 Q07817 1/20 0.37
CYP2A6 P11509 1/20 0.37
MAPK1 P28482 1/20 0.37
HTR6 P50406 2/20 0.37

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
SCHEMBL8770199 0.84 PTGS2 (0.53) PTGS2
SCHEMBL8909039 0.84 HNF4A (0.43) AKR1B1PTGS2HNF4AHDAC4HDAC2
SCHEMBL7871344 0.83 PTGS2 (0.49) PTGS2GAALMNAMAPTALDH1A1
SCHEMBL28534831 0.82 PTGS2 (0.43) AKR1B1PTGS2HNF4AHDAC4HDAC2
Potassium Ion SCHEMBL11649750 0.82 PTGS2 (0.43) AKR1B1PTGS2HNF4AHDAC4HDAC2
SCHEMBL31463127 0.82 AKR1B1 (0.56) AKR1B1PTGS2HDAC4HDAC2HDAC8
SCHEMBL9246392 0.82 HDAC4 (0.53) AKR1B1PTGS2HNF4AHDAC4HDAC2
SCHEMBL9192411 0.80 PTGS2 (0.37) AKR1B1PTGS2HNF4AHDAC4HDAC2
SCHEMBL9599324 0.79 HTR6 (0.42) PTGS2GAAMAPTHTTALDH1A1
SCHEMBL1028866 0.79 POLB (0.49) PTGS2GAAHTTBCL2L1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415614-B1 COATING SOLUTION FOR HEAT-SENSITIVE COLOR-DEVELOPING LAYER, AND HEAT-SENSITIVE RECORDING MATERIAL JUJO PAPER CO LTD (JP) 2014-01-22 EP disclosed
US-8470735-B2 Coating solution for heat-sensitive color-developing layer, and heat-sensitive recording material NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2013-06-25 US disclosed
US-20120157303-A1 COATING SOLUTION FOR HEAT-SENSITIVE COLOR-DEVELOPING LAYER, AND HEAT-SENSITIVE RECORDING MATERIAL API CORPORATION (JP) 2012-06-21 US disclosed
EP-2415614-A1 COATING SOLUTION FOR HEAT-SENSITIVE COLOR-DEVELOPING LAYER, AND HEAT-SENSITIVE RECORDING MATERIAL Nippon Paper Industries Co., Ltd. (JP) 2012-02-08 EP disclosed