SCHEMBL1702122

SCHEMBL1702122

C=CCOc1cccc(S(=O)(=O)O)c1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIG1 P18858 1/20 0.44
HPGD P15428 2/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2A6 P11509 1/20 0.42
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
SLC22A1 O15245 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
HTR1A P08908 1/20 0.40
CYP2D6 P10635 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 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
SCHEMBL29378178 0.87 LIG1 (0.50) LIG1HPGDTSHRMAPK1HSD17B10
SCHEMBL27079 0.87 LIG1 (0.50) LIG1HPGDTSHRMAPK1HSD17B10
SCHEMBL31591235 0.85 LIG1 (0.49) LIG1HPGDTSHRMAPK1HSD17B10
SCHEMBL929449 0.85 LIG1 (0.49) LIG1HPGDTSHRMAPK1HSD17B10
Ethylene SCHEMBL1566536 0.85 LIG1 (0.49) LIG1HPGDTSHRMAPK1HSD17B10
Ammonia Solution, Strong SCHEMBL14797779 0.85 LIG1 (0.49) LIG1HPGDTSHRMAPK1HSD17B10
SCHEMBL28664816 0.83 LIG1 (0.47) LIG1HPGDTSHRMAPK1HSD17B10
SCHEMBL8615075 0.80 LIG1 (0.44) LIG1HPGDTSHRMAPK1HSD17B10
SCHEMBL28806154 0.78 HSD17B10 (0.48) HSD17B10CYP2A6CA12CA1CA9
SCHEMBL1702913 0.76 TXNRD1 (0.36) HPGDTSHRHSD17B10LMNACYP1A2

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