SCHEMBL989707

SCHEMBL989707

C=C(CC=CC(N)=O)C(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL239948 0.82 HCAR2 (0.40) ALDH1A1KEAP1NFE2L2HCAR2
Acetone SCHEMBL10597606 0.79 ALDH1A1 (0.50) ALDH1A1
Butadiene SCHEMBL11340927 0.78 HCAR2 (0.36) ALDH1A1HCAR2
Acrylic Acid SCHEMBL8951871 0.78 ALOX15 (0.41) ALDH1A1HCAR2
1,1-Dichloroethene SCHEMBL7050642 0.78 HCAR2 (0.36) ALDH1A1HCAR2
SCHEMBL6135395 0.78 ALDH1A1 (0.41) ALDH1A1
Methacrylic Acid SCHEMBL1219401 0.77 ALDH1A1 (0.42) ALDH1A1HCAR2
SCHEMBL1473949 0.77 ALDH1A1 (0.52) ALDH1A1HCAR2
SCHEMBL28425318 0.76 ALDH1A1 (0.56) ALDH1A1
SCHEMBL8926261 0.75 ALOX15 (0.35) ALDH1A1

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-2258951-B1 PHOTORESPONSIVE GAS-GENERATING MATERIAL, MICROPUMP AND MICROFLUID DEVICE SEKISUI CHEMICAL CO LTD (JP) 2018-08-22 EP disclosed
US-8771612-B2 Photoresponsive gas-generating material, micropump and microfluid device SEKISUI CHEMICAL CO., LTD. (JP) 2014-07-08 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