SCHEMBL3040415

SCHEMBL3040415

CCc1ccccc1-c1[c]cccc1-c1ccccc1CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
DHFR P00374 1/20 0.34
KCNN4 O15554 1/20 0.33
TRPA1 O75762 1/20 0.33
LMNA P02545 2/20 0.33
MGLL Q99685 1/20 0.32
SLC9A1 P19634 1/20 0.32
PDK2 Q15119 1/20 0.32
MAPT P10636 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 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
SCHEMBL6928439 0.90 CYP2D6 (0.41) CYP2D6CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL6209195 0.84 KCNN4 (0.40) CYP2D6CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL6687946 0.82 NR1H2 (0.38) CYP2D6PPARATLR8
SCHEMBL456469 0.81 CYP2D6 (0.40) CYP2D6CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL12815673 0.80 GABRA1 (0.35) CYP2D6GABRA1GABRB2
SCHEMBL5271436 0.80 LIPG (0.46) PPARGPPARA
SCHEMBL12815176 0.80 LIPG (0.46) PPARGPPARA
SCHEMBL8519841 0.80 LIPG (0.46) PPARGPPARA
SCHEMBL198461 0.78 CSNK2A2 (0.52) CYP2D6CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL251882 0.77 GABRA1 (0.44) CYP2D6GABRA1GABRB2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937195-B2 Method for producing the transition metal complex, catalyst for trimerization, method for producing 1-hexene, method for producing the substituted cyclopentadiene compound (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-20 US disclosed
EP-2691406-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) Sumitomo Chemical Company, Limited (JP) 2014-02-05 EP disclosed
US-20140018564-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-16 US disclosed
WO-2012133935-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (3) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO disclosed
WO-2012133924-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO disclosed
WO-2010088333-A2 FERROELECTRIC LIQUID CRYSTAL (FLC) POLYMERS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2010-08-05 WO disclosed
WO-2002020448-A1 PROCESS FOR THE HYDROFORMYLATION OF ALKENES DYNEA CHEMICALS OY (FI) 2002-03-14 WO disclosed