SCHEMBL1702913

SCHEMBL1702913

C=C(C)COc1cccc(S(=O)(=O)O)c1S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.36
TXNRD3 Q86VQ6 1/20 0.36
TXNRD2 Q9NNW7 1/20 0.36
GPR174 Q9BXC1 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 3/20 0.35
TSHR P16473 3/20 0.35
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
HTT P42858 2/20 0.33
TTR P02766 1/20 0.33

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
SCHEMBL28076 0.87 GPR174 (0.40) TXNRD1TXNRD3TXNRD2GPR174ALDH1A1
SCHEMBL29377861 0.87 GPR174 (0.40) TXNRD1TXNRD3TXNRD2GPR174ALDH1A1
SCHEMBL29648895 0.86 ALDH1A1 (0.43) TXNRD1TXNRD3TXNRD2GPR174ALDH1A1
SCHEMBL570808 0.86 GPR174 (0.39) TXNRD1TXNRD3TXNRD2GPR174ALDH1A1
SCHEMBL570810 0.86 GPR174 (0.39) GPR174ALDH1A1KDM4EHSD17B10TSHR
Ammonia Solution, Strong SCHEMBL6716826 0.86 GPR174 (0.39) GPR174ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL28806154 0.80 HSD17B10 (0.48) ALDH1A1KDM4EHSD17B10NPSR1MAPT
SCHEMBL27943238 0.78 CYP2A6 (0.41) ALDH1A1HSD17B10TSHRLMNAMAPT
SCHEMBL1702122 0.76 LIG1 (0.44) HSD17B10TSHRLMNAMAPTHPGD
SCHEMBL17289480 0.76 ELANE (0.40) ALDH1A1KDM4EHSD17B10TSHRPOLB

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-1726601-B1 ULTRAFINE PARTICLE CAPABLE OF MOISTURE ABSORPTION AND DESORPTION AND PRODUCT UTILIZING THE ULTRAFINE PARTICLE JAPAN EXLAN CO LTD (JP) 2012-04-18 EP disclosed
US-7468414-B2 Moisture absorptive and desorptive ultrafine particles and a product using said ultrafine particles JAPAN EXLAN COMPANY LIMITED (JP) 2008-12-23 US disclosed
US-20070185292-A1 Moisture absorptive and desorptive ultrafine particles and a product using said ultrafine particles JAPAN EXLAN COMPANY LIMITED (JP) 2007-08-09 US disclosed
EP-1726601-A1 ULTRAFINE PARTICLE CAPABLE OF MOISTURE ABSORPTION AND DESORPTION AND PRODUCT UTILIZING THE ULTRAFINE PARTICLE JAPAN EXLAN COMPANY LIMITED (JP) 2006-11-29 EP disclosed