SCHEMBL2004604

SCHEMBL2004604

CCCCOC(=O)CC(Br)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 2/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
POLB P06746 2/20 0.43
GPR88 Q9GZN0 1/20 0.42

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
SCHEMBL23191566 0.86 TSHR (0.53) TSHRL3MBTL1TDP1NPC1RAB9A
SCHEMBL9467365 0.84 ALDH1A1 (0.54) TSHRL3MBTL1TDP1NPC1RAB9A
SCHEMBL27322176 0.84 TSHR (0.51) TSHRNPC1SMN1; SMN2MEN1KMT2A
SCHEMBL27461469 0.83 SMN1; SMN2 (0.58) TSHRL3MBTL1TDP1NPC1RAB9A
SCHEMBL27943120 0.82 TSHR (0.49) TSHRL3MBTL1TDP1NPC1RAB9A
SCHEMBL7427044 0.82 LMNA (0.56) TSHRL3MBTL1TDP1NPC1RAB9A
SCHEMBL5720836 0.82 TSHR (0.49) TSHRL3MBTL1TDP1NPC1RAB9A
SCHEMBL5697642 0.82 TSHR (0.49) TSHRL3MBTL1TDP1NPC1RAB9A
SCHEMBL9468152 0.81 ALDH1A1 (0.50) TSHRL3MBTL1TDP1NPC1RAB9A
SCHEMBL23291795 0.80 NPC1 (0.57) TSHRNPC1RAB9ASMN1; SMN2LMNA

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