SCHEMBL7203667

SCHEMBL7203667

CCc1c(C)n(CC)c(C)[n+]1C

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL7201953 0.64 KDM4E (0.32) KDM4EALOX15MAPK1CASP1HSD17B10
SCHEMBL13730605 0.57 KDM4E (0.50) KDM4EALOX15MAPK1CASP1HSD17B10
SCHEMBL10111171 0.49
SCHEMBL6760708 0.49
SCHEMBL23010965 0.49 KDM4E (0.41) KDM4EALOX15MAPK1CASP1HSD17B10
SCHEMBL31316476 0.48 KDM4E (0.44) KDM4EALOX15MAPK1CASP1HSD17B10
Propane SCHEMBL286506 0.43
Propane SCHEMBL9246294 0.43
Propane SCHEMBL1021 0.43
SCHEMBL21290178 0.43 KDM4E (0.32) KDM4E

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