SCHEMBL948622

SCHEMBL948622

COc1c2ccccc2c(OC)c2cc(S(=O)(=O)OCc3ccc([N+](=O)[O-])c([N+](=O)[O-])c3)ccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
MAPT P10636 6/20 0.36
MAPK1 P28482 4/20 0.36
LMNA P02545 4/20 0.36
PKM P14618 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TXNRD1 Q16881 4/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
GFER P55789 1/20 0.35
PAX8 Q06710 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ABCB1 P08183 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 0.86 HTT (0.44) ALDH1A1MAPTLMNAPKMHTR1A
SCHEMBL335568 0.86 HTT (0.44) ALDH1A1MAPTLMNAPKMHTR1A
SCHEMBL948241 0.85 PRMT5 (0.45) ALDH1A1MAPTLMNAHTR1AKMT2A
SCHEMBL10404455 0.84 HTR1A (0.40) ALDH1A1MAPTMAPK1LMNAHTR1A
SCHEMBL949550 0.77 MAPT (0.39) ALDH1A1MAPTMAPK1SMN1; SMN2RAB9A
SCHEMBL1109650 0.76 MEN1 (0.42) LMNARAB9AKMT2AMEN1HPGD
SCHEMBL31233774 0.76 MEN1 (0.42) LMNARAB9AKMT2AMEN1HPGD
SCHEMBL9304464 0.74 MEN1 (0.41) ALDH1A1LMNAHTR1AKMT2AMEN1
SCHEMBL4905251 0.73 MAOB (0.40) ALDH1A1MAPTMAPK1LMNASMN1; SMN2
SCHEMBL12595121 0.73 MEN1 (0.42) MAPTLMNAHTR1AKMT2AMEN1

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