SCHEMBL27835366

SCHEMBL27835366

N#COc1ccc(C2CCCCCCCCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.44
KCNH2 Q12809 2/20 0.44
HAO1 Q9UJM8 2/20 0.44
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KMT2A Q03164 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
NOTUM Q6P988 2/20 0.37
HSP90AA1 P07900 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL8849454 1.00 HRH3 (0.44) HRH3KCNH2HAO1THRBSMN1; SMN2
SCHEMBL29091934 0.98 HRH3 (0.41) HRH3KCNH2HAO1THRBSMN1; SMN2
SCHEMBL9136281 0.90 ESR2 (0.38) HRH3KCNH2HAO1POLBESR2
SCHEMBL19864914 0.81 ESR2 (0.52) HRH3KCNH2POLBRAB9AESR2
SCHEMBL6238498 0.81 HRH3 (0.44) HRH3KCNH2HAO1THRBSMN1; SMN2
SCHEMBL20003490 0.78 ESR2 (0.47) HRH3KCNH2SMN1; SMN2ALDH1A1KMT2A
SCHEMBL6704196 0.77 HAO1 (0.59) HRH3KCNH2HAO1THRBSMN1; SMN2
SCHEMBL27460507 0.76 HRH3 (0.46) HRH3KCNH2HAO1THRBSMN1; SMN2
SCHEMBL15260520 0.76 HDAC8 (0.52) HRH3KCNH2HAO1SMN1; SMN2MAPT
SCHEMBL28584923 0.76 HDAC8 (0.52) HRH3KCNH2HAO1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102026963-B Aromatic dicyanate compounds with high aliphatic carbon content DOW GLOBAL TECHNOLOGIES INC 2015-04-22 CN disclosed
CN-102026950-B Ethylenically unsaturated monomers comprising aliphatic and aromatic moieties DOW GLOBAL TECHNOLOGIES LLC (US) 2014-10-15 CN disclosed
CN-102026963-A Aromatic dicyanate compounds with high aliphatic carbon content DOW GLOBAL TECHNOLOGIES INC 2011-04-20 CN disclosed
CN-102026950-A Ethylenically unsaturated monomers comprising aliphatic and aromatic moieties DOW GLOBAL TECHNOLOGIES INC 2011-04-20 CN disclosed