SCHEMBL1083196

SCHEMBL1083196

NCCCCCCc1ccc(C(N)=O)c(CCCCCCN)c1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.32
DHODH Q02127 1/20 0.32
BID P55957 4/20 0.31
MCL1 Q07820 4/20 0.31
BCL2L1 Q07817 3/20 0.31
BAK1 Q16611 3/20 0.31
KAT8 Q9H7Z6 2/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
EP300 Q09472 1/20 0.31
KAT2A Q92830 1/20 0.31
KAT2B Q92831 1/20 0.31
KAT5 Q92993 1/20 0.31
SAE1 Q9UBE0 1/20 0.31
MAOA P21397 1/20 0.31
SIRT3 Q9NTG7 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
DGAT1 O75907 1/20 0.30
MPO P05164 2/20 0.30

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
SCHEMBL9340012 0.98 DHODH (0.32) DHODHMAOASIRT3TDP1DGAT1
SCHEMBL1054212 0.88 DHODH (0.34) HRH1DHODHMAOADGAT1MPO
SCHEMBL793234 0.86 PPARA (0.46) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL1052810 0.86 PPARA (0.46) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL11221193 0.86 PPARA (0.46) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL27406367 0.86 PPARA (0.46) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL1054479 0.85 HRH1 (0.38) HRH1MAOADGAT1
SCHEMBL6675902 0.84 BID (0.43) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL8653322 0.83 TYR (0.33) HRH1DHODHBIDMCL1BCL2L1
SCHEMBL4630074 0.83 MAOA (0.39) HRH1MAOASIRT3TDP1DGAT1

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
US-20120302704-A1 COPOLYMER COMPOSED OF A POLYPHENYLENE AND A FLEXIBLE CHAIN COMPONENT ROBERT BOSCH GMBH (DE) 2012-11-29 US claimed
EP-2456806-A1 COPOLYMER MADE OF A POLYPHENYLENE AND A FLEXIBLE CHAIN COMPONENT Robert Bosch GmbH (DE) 2012-05-30 EP claimed
WO-2011009952-A1 COPOLYMER MADE OF A POLYPHENYLENE AND A FLEXIBLE CHAIN COMPONENT ROBERT BOSCH GMBH (DE) 2011-01-27 WO claimed
US-20120302704-A1 COPOLYMER COMPOSED OF A POLYPHENYLENE AND A FLEXIBLE CHAIN COMPONENT ROBERT BOSCH GMBH (DE) 2012-11-29 US disclosed
EP-2456806-A1 COPOLYMER MADE OF A POLYPHENYLENE AND A FLEXIBLE CHAIN COMPONENT Robert Bosch GmbH (DE) 2012-05-30 EP disclosed
WO-2011009952-A1 COPOLYMER MADE OF A POLYPHENYLENE AND A FLEXIBLE CHAIN COMPONENT ROBERT BOSCH GMBH (DE) 2011-01-27 WO disclosed