SCHEMBL1779587

SCHEMBL1779587

CCCCc1[c]ccc(CC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.34
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA2 P00918 2/20 0.32
CA1 P00915 1/20 0.32
TRPA1 O75762 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TYR P14679 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31

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
SCHEMBL1777563 0.93 PTGS2 (0.39) HTTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL677715 0.90 SKP2 (0.43) SKP2HPGDNPC1MAPK1HTT
SCHEMBL1775603 0.89 SKP2 (0.38) SKP2HPGDNPC1MAPK1HTT
SCHEMBL1776797 0.88 TRPA1 (0.34) TRPA1CYP1A2CYP2A6
SCHEMBL29211495 0.85 HPGD (0.35) SKP2HPGDNPC1MAPK1HTT
SCHEMBL27495938 0.85 SKP2 (0.36) SKP2HPGDNPC1MAPK1HTT
SCHEMBL1777578 0.85 PTGS2 (0.43) ALDH1A1HSD17B10CYP3A4PTGS2
SCHEMBL677464 0.85 PTGS2 (0.42) ALDH1A1HSD17B10CYP3A4PTGS2
SCHEMBL11030323 0.85 SKP2 (0.42) SKP2HPGDNPC1MAPK1HTT
SCHEMBL10903190 0.84 PPARA (0.40) HPGDNPC1MAPK1RAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475041-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE BATTERY COMPRISING SAME Mitsubishi Chemical Corporation (JP) 2012-07-11 EP disclosed
US-8188202-B2 Making polymers based on monomer 9,9-Diallylfluorene; diallyl groups form cyclohexane ring upon polymerization; superior heat resistance; use of diimine-based nickel complex catalyst, organoaluminum, and boron compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-29 US disclosed
US-7964691-B2 5,5-diallyl-2,2-dimethyl-1,3-dioxane as monomer units; polymerization catalysts; heat resistance SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-21 US disclosed
US-7956145-B2 Polymerization of 1,6-heptadiene in the presence of a catalyst formed by contacting a transition metal with a diimino aluminum or boron compound, giving a polymer structure of alternating ethylene and cyclopentene; superior balance between a heat resistance and workability SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-07 US disclosed
US-7943715-B2 Polymerization of 1,6-heptadiene in the presence of a catalyst formed by contacting a transition metal with a diimino aluminum or boron compound, giving a polymer structure of alternating ethylene and cyclopentene; superior balance between a heat resistance and workability SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-17 US disclosed
US-7799886-B2 Diene polymer and production process thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-21 US disclosed
US-20100234546-A1 DIENE POLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-16 US disclosed
US-20090221774-A1 DIENE POLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-09-03 US disclosed
US-20080234450-A1 DIENE POLYMER AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-25 US disclosed
US-20080221287-A1 DIENE POLYMER AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-11 US disclosed
US-20080221288-A1 DIENE POLYMER AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-11 US disclosed
US-20080221286-A1 DIENE POLYMER AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-11 US disclosed
US-20080214755-A1 OLEFIN-DIENE COPOLYMER AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-04 US disclosed
US-20080214754-A1 DIENE POLYMER AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-04 US disclosed