SCHEMBL5617552

SCHEMBL5617552

C1CCCC(CCC2CCCCC2)CCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
SIGMAR1 Q99720 3/20 0.52
METAP1 P53582 1/20 0.46
CHRM5 P08912 2/20 0.43
ADRA2C P18825 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
BRCA1 P38398 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL6520302 1.00 CYP1A2 (0.58) CYP1A2SIGMAR1METAP1CHRM5ADRA2C
SCHEMBL6516932 1.00 CYP1A2 (0.58) CYP1A2SIGMAR1METAP1CHRM5ADRA2C
SCHEMBL1524766 1.00 CYP1A2 (0.58) CYP1A2SIGMAR1METAP1CHRM5ADRA2C
SCHEMBL6077957 1.00 CYP1A2 (0.58) CYP1A2SIGMAR1METAP1CHRM5ADRA2C
SCHEMBL6524230 1.00 CYP1A2 (0.58) CYP1A2SIGMAR1METAP1CHRM5ADRA2C
SCHEMBL6518887 1.00 CYP1A2 (0.58) CYP1A2SIGMAR1METAP1CHRM5ADRA2C
SCHEMBL11407095 1.00 CYP1A2 (0.58) CYP1A2SIGMAR1METAP1CHRM5ADRA2C
SCHEMBL60655 1.00 CYP1A2 (0.58) CYP1A2SIGMAR1METAP1CHRM5ADRA2C
SCHEMBL2573209 1.00 CYP1A2 (0.58) CYP1A2SIGMAR1METAP1CHRM5ADRA2C
SCHEMBL2575331 1.00 CYP1A2 (0.58) CYP1A2SIGMAR1METAP1CHRM5ADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3078723-B1 ADDUCTS FROM ISOCYANATE OALKYLTRI METHOXYSILANES AND FLAME RETARDANTS THAT REACT WITH THEM EVONIK DEGUSSA GMBH (DE) 2018-10-31 EP disclosed
EP-2994495-B1 CROSSLINKING OF IPMS ADDUCTS AND AMINOSILANES EVONIK INDUSTRIES AG (DE) 2018-10-10 EP disclosed
EP-3078723-A1 ADDUCTS FROM ISOCYANATE OALKYLTRI METHOXYSILANES AND FLAME RETARDANTS THAT REACT WITH THEM Evonik Degussa GmbH (DE) 2016-10-12 EP disclosed
EP-2905296-B1 Copolymers made of isocyanatoalkyltrialkoxysilanes and urethane diols EVONIK DEGUSSA GMBH (DE) 2015-12-23 EP disclosed
EP-2905296-A1 Copolymers made of isocyanatoalkyltrialkoxysilanes and urethane diols Evonik Degussa GmbH (DE) 2015-08-12 EP disclosed
WO-2007045692-A1 SILICON RUBBER COMPOSITION WITH AN IMPROVED RESISTANCE TO FURTHER TEARING GE BAYER SILICONES GMBH & CO. KG (DE) 2007-04-26 WO disclosed
EP-1368428-B1 POLYORGANOSILOXANE COMPOSITION GE BAYER SILICONES GMBH & CO (DE) 2006-01-04 EP disclosed
EP-1368428-A2 POLYORGANOSILOXANE COMPOSITION GE Bayer Silicones GmbH & Co. KG (DE) 2003-12-10 EP disclosed
WO-2002062897-A2 POLYORGANOSILOXANE COMPOSITION GE BAYER SILICONES GMBH & CO. KG (DE) 2002-08-15 WO disclosed