SCHEMBL8961828

SCHEMBL8961828

CCC(C)c1cc(C(C)(C)c2ccc(OC#N)c(C(C)CC)c2)ccc1OC#N

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 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
SCHEMBL29664139 0.84 RORC (0.39) RORCL3MBTL1
SCHEMBL3421381 0.84 RORC (0.39) RORCL3MBTL1
SCHEMBL3418379 0.74 ESR1 (0.44) L3MBTL1TSHR
SCHEMBL30003058 0.74 ESR1 (0.44) L3MBTL1TSHR
SCHEMBL29664065 0.74 ESR1 (0.44) L3MBTL1TSHR
SCHEMBL7613145 0.73 RORC (0.52) RORCL3MBTL1TSHR
SCHEMBL29492951 0.73 RORC (1.00) RORCTSHR
SCHEMBL125246 0.73 RORC (1.00) RORCTSHR
SCHEMBL29393026 0.73 RORC (1.00) RORCTSHR
SCHEMBL14173155 0.72 RORC (0.55) RORCL3MBTL1TSHR

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 3 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 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