SCHEMBL11428239

SCHEMBL11428239

CC(=CC#N)C1C(C)=CCC2C1C2(C)C

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
MAPK1 P28482 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
SCHEMBL11374512 0.68 TSHR (0.39) TSHRMAPK1
SCHEMBL11421065 0.66
SCHEMBL9839686 0.63
SCHEMBL11423130 0.62
SCHEMBL11296967 0.60 LMNA (0.54) TSHRMAPK1
SCHEMBL11296968 0.60 LMNA (0.54) TSHRMAPK1
SCHEMBL11425029 0.58
SCHEMBL13017526 0.58 ALDH1A1 (0.56)
SCHEMBL13062842 0.58 ALDH1A1 (0.56)
SCHEMBL13062844 0.58 ALDH1A1 (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4219449-A Carane nitriles POLAK'S FRUTAL WORKS B.V. (NL) 1980-08-26 US disclosed