SCHEMBL949550

SCHEMBL949550

COc1c2ccccc2c(OC)c2cc(S(=O)(=O)OCc3ccc(C#N)cc3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
AR P10275 1/20 0.39
TSHR P16473 1/20 0.38
ACLY P53396 1/20 0.38
CYP19A1 P11511 2/20 0.36
NPC1 O15118 2/20 0.36
MAOB P27338 2/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
KEAP1 Q14145 2/20 0.36
NFE2L2 Q16236 2/20 0.36
STAT3 P40763 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNA1B Q00975 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL30139585 0.81 HTT (0.44) MAPTCYP19A1ALDH1A1
SCHEMBL335568 0.81 HTT (0.44) MAPTCYP19A1ALDH1A1
SCHEMBL948622 0.77 ALDH1A1 (0.36) MAPTNPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL27962506 0.77 MAPT (0.59) MAPTARTSHRCYP19A1NPC1
SCHEMBL948241 0.76 PRMT5 (0.45) MAPTARTSHRMAOBALDH1A1
SCHEMBL949130 0.75 MAPK1 (0.42) MAPTTSHRSMN1; SMN2RAB9AKDM4E
SCHEMBL1979822 0.74 BCHE (0.57) MAPTARTSHRCYP19A1NPC1
SCHEMBL28177879 0.74 CA1 (0.40) TSHRMAOBKEAP1NFE2L2SMN1; SMN2
SCHEMBL600822 0.74 SMN1; SMN2 (0.52) KEAP1NFE2L2SMN1; SMN2L3MBTL1KDM4E
SCHEMBL30043755 0.74 SMN1; SMN2 (0.52) KEAP1NFE2L2SMN1; SMN2L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258951-B1 PHOTORESPONSIVE GAS-GENERATING MATERIAL, MICROPUMP AND MICROFLUID DEVICE SEKISUI CHEMICAL CO LTD (JP) 2018-08-22 EP disclosed
EP-3093502-B1 MICRO FLUID DEVICE SEKISUI CHEMICAL CO LTD (JP) 2018-07-04 EP disclosed
EP-2256349-B1 MICRO FLUID DEVICE SEKISUI CHEMICAL CO LTD (JP) 2017-04-26 EP disclosed
EP-3093502-A1 MICRO FLUID DEVICE SEKISUI CHEMICAL CO., LTD. (JP) 2016-11-16 EP disclosed
US-8771612-B2 Photoresponsive gas-generating material, micropump and microfluid device SEKISUI CHEMICAL CO., LTD. (JP) 2014-07-08 US disclosed
US-20140134075-A1 PHOTORESPONSIVE GAS-GENERATING MATERIAL, MICROPUMP AND MICROFLUID DEVICE SEKISUI CHEMICAL CO., LTD. (JP) 2014-05-15 US disclosed
US-8197773-B2 Micro fluid device SEKISUI CHEMICAL CO., LTD. (JP) 2012-06-12 US disclosed
US-20110044863-A1 MICRO FLUID DEVICE SEKISUI CHEMICAL CO., LTD. (JP) 2011-02-24 US disclosed
US-20110014096-A1 PHOTORESPONSIVE GAS-GENERATING MATERIAL, MICROPUMP AND MICROFLUID DEVICE SEKISUI CHEMICAL CO., LTD. (JP) 2011-01-20 US disclosed
EP-2258951-A1 PHOTORESPONSIVE GAS-GENERATING MATERIAL, MICROPUMP AND MICROFLUID DEVICE Sekisui Chemical Co., Ltd. (JP) 2010-12-08 EP disclosed
EP-2256349-A1 MICRO FLUID DEVICE Sekisui Chemical Co., Ltd. (JP) 2010-12-01 EP disclosed