SCHEMBL8961826

SCHEMBL8961826

N#COc1ccc(C2(c3ccc(OC#N)c(-c4ccccc4)c3)CCCCC2)cc1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PPARA Q07869 1/20 0.36
ESR1 P03372 4/20 0.35
ESR2 Q92731 4/20 0.35
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
C5AR1 P21730 2/20 0.32
PGR P06401 3/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL7912709 0.78 C5AR1 (0.44) PPARAPTGDR2ALDH1A1C5AR1MEN1
SCHEMBL918949 0.77 ESR1 (0.53) PPARAESR1ESR2ALDH1A1L3MBTL1
SCHEMBL30003792 0.77 ESR1 (0.53) PPARAESR1ESR2ALDH1A1L3MBTL1
SCHEMBL3421546 0.77 ESR1 (0.53) PPARAESR1ESR2ALDH1A1L3MBTL1
Phenol SCHEMBL8963230 0.76 ESR1 (0.50) PPARAESR1ESR2ALDH1A1L3MBTL1
SCHEMBL29562374 0.76 ESR1 (0.40) MAOAMAOBESR1ESR2PTGDR2
SCHEMBL4270506 0.76 ESR1 (0.40) MAOAMAOBESR1ESR2PTGDR2
SCHEMBL28065691 0.76 KMT2A (0.40) MAOAMAOBPTGDR2ALDH1A1L3MBTL1
SCHEMBL14173042 0.76 PPARA (0.40) PPARAESR1ESR2PTGDR2
SCHEMBL17042258 0.75 MAOA (0.37) MAOAMAOBPTGDR2

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
US-5550282-A CURABLE COMPOSITION COMPRISING PARTIALLY TRIMERIZED PREPOLYMER OF AROMATIC DICYANATE ESTER KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-08-27 US claimed
US-5550282-A CURABLE COMPOSITION COMPRISING PARTIALLY TRIMERIZED PREPOLYMER OF AROMATIC DICYANATE ESTER KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-08-27 US disclosed
US-5488144-A Bifunctional aromatic cyanates, prepolymers and electrical laminates made therefrom KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-01-30 US disclosed
EP-0548970-A2 Prepolymers from bifunctional aromatic cyanates and electrical laminates made therefrom KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-06-30 EP disclosed