SCHEMBL7201953

SCHEMBL7201953

CCc1n(CC)c(C)c(C)[n+]1C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL7203667 0.64 KDM4E (0.37) KDM4EALOX15MAPK1CASP1HSD17B10
SCHEMBL2701872 0.63 ALDH1A1 (0.31)
SCHEMBL2700758 0.60 KDM4E (0.31) KDM4E
SCHEMBL486769 0.58
SCHEMBL13730605 0.57 KDM4E (0.50) KDM4EALOX15MAPK1CASP1HSD17B10
SCHEMBL5481176 0.55 KDM4E (0.32) KDM4EALOX15MAPK1CASP1HSD17B10
SCHEMBL12926004 0.54 KDM4E (0.48) KDM4EALOX15MAPK1CASP1HSD17B10
SCHEMBL1901173 0.51 KDM4E (0.38) KDM4EALOX15MAPK1CASP1HSD17B10
SCHEMBL18999318 0.51 KDM4E (0.33) KDM4EALOX15MAPK1CASP1HSD17B10
SCHEMBL18999319 0.51 KDM4E (0.43) KDM4EALOX15MAPK1CASP1HSD17B10

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
JP-2003163030-A ELECTROLYTE NIPPON TELEGR & TELEPH CORP <NTT> 2003-06-06 JP disclosed