SCHEMBL2009114

SCHEMBL2009114

C=Cc1ccc2cc3c4cc5ccccc5cc4c4cc5ccccc5cc4c3cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.47
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.42
PTGS1 P23219 1/20 0.41
HSD17B10 Q99714 2/20 0.39
HIF1A Q16665 1/20 0.39
CYP1B1 Q16678 1/20 0.39
MAPT P10636 3/20 0.39
NQO2 P16083 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GLA P06280 1/20 0.39
TP53 P04637 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 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
SCHEMBL1264213 0.91 RELA (0.50) RELAALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL2701546 0.91 RELA (0.50) RELAALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL30464086 0.91 RELA (0.50) RELAALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL1167373 0.91 RELA (0.50) RELAALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL29357489 0.89 RELA (0.58) RELAALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL2997515 0.89 RELA (0.58) RELAALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL110160 0.89 RELA (0.58) RELAALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL11728296 0.87 ALDH1A1 (0.57) RELAALDH1A1KDM4EL3MBTL1TSHR
Anthracene SCHEMBL28663344 0.86 RELA (0.56) RELAALDH1A1KDM4EL3MBTL1TSHR
Hydrochloric Acid SCHEMBL5493921 0.86 RELA (0.56) RELAALDH1A1KDM4EL3MBTL1TSHR

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
EP-1857471-B1 POLYMERIZATION CATALYST COMPOSITION AND PROCESS FOR PRODUCTION OF POLYMER MITSUI CHEMICALS INC (JP) 2013-04-24 EP disclosed
US-7960305-B2 a mixture of a phosphazenium compound such as tetrakis[tris(dimethylamino)phosphoranylideneamino]phosphonium chloride, transition metal halides and an organic halogen compound as an activator, used for addition homo/copolymerization; living polymers MITSUI CHEMICALS, INC. (JP) 2011-06-14 US disclosed
CN-101128491-B Polymerization catalyst composition and method for producing polymer MITSUI CHEMICALS INC 2010-09-08 CN disclosed
US-20080177014-A1 Polymerization Catalyst Composition and Process for Production of Polymer MITSUI CHEMICALS, INC. (JP) 2008-07-24 US disclosed
CN-101128491-A Polymerization catalyst composition and method for producing polymer MITSUI CHEMICALS INC (JP) 2008-02-20 CN disclosed
EP-1857471-A1 POLYMERIZATION CATALYST COMPOSITION AND PROCESS FOR PRODUCTION OF POLYMER Mitsui Chemicals, Inc. (JP) 2007-11-21 EP disclosed