SCHEMBL5584653

SCHEMBL5584653

CO[Si](C)(C)c1ccccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
TDP1 Q9NUW8 3/20 0.43
ADRA2B P18089 1/20 0.43
PTGS1 P23219 1/20 0.43
CYP3A4 P08684 4/20 0.39
ALOX15 P16050 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 2/20 0.36
CFTR P13569 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
TSHR P16473 4/20 0.33
IDO1 P14902 1/20 0.33
PIK3CA P42336 1/20 0.33
EP300 Q09472 1/20 0.32
KAT8 Q9H7Z6 1/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 3/20 0.32
GAA P10253 3/20 0.32

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
SCHEMBL10775087 0.84 CYP3A4 (0.41) ALDH1A1TDP1ADRA2BPTGS1CYP3A4
SCHEMBL2961092 0.83 CA4 (0.36) ALDH1A1SMN1; SMN2IDO1RAB9AKDM4E
SCHEMBL820792 0.82 ALDH1A1 (0.43) ALDH1A1TDP1ADRA2BPTGS1CYP3A4
SCHEMBL62694 0.79 ALDH1A1 (0.44) ALDH1A1TDP1ADRA2BPTGS1CYP3A4
SCHEMBL29999012 0.79 ALDH1A1 (0.44) ALDH1A1TDP1ADRA2BPTGS1CYP3A4
SCHEMBL1172558 0.75 CYP3A4 (0.47) ALDH1A1TDP1ADRA2BPTGS1CYP3A4
SCHEMBL6468335 0.75 CYP3A4 (0.47) ALDH1A1TDP1ADRA2BPTGS1CYP3A4
SCHEMBL1318702 0.74 TSHR (0.41) ALDH1A1TDP1CYP3A4SMN1; SMN2TSHR
Cyclopropane SCHEMBL1118085 0.74 ALDH1A1 (0.40) ALDH1A1TDP1ADRA2BPTGS1CYP3A4
SCHEMBL23701057 0.73 CA2 (0.43) ALDH1A1TDP1CYP3A4ALOX15SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321017-B2 Gas-separation membrane NAGOYA INDUSTRIAL SCIENCE RESEARCH INSTITUTE (JP) 2016-04-26 US disclosed
US-20150033945-A1 GAS-SEPARATION MEMBRANE NAGOYA INDUSTRIAL SCIENCE RESEARCH INSTITUTE (JP) 2015-02-05 US disclosed
US-8734574-B2 Gas separation membrane IBIDEN CO., LTD. (JP) 2014-05-27 US disclosed
US-20120202953-A1 GAS SEPARATION MEMBRANE NATIONAL UNIVERSITY CORP KYOTO INSTITUTE OF TECH (JP) 2012-08-09 US disclosed
EP-2471592-A1 GAS SEPARATION MEMBRANE Ibiden Co., Ltd. (JP) 2012-07-04 EP disclosed
EP-1792928-A1 MULTIBRANCHED POLYIMIDE HYBRID MATERIAL NATIONAL UNIVERSITY CORPORATION NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2007-06-06 EP disclosed