SCHEMBL12708705

SCHEMBL12708705

CC(CC1CC=CCC1)C(C)C1BC1N

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL6910876 0.76 KDM4E (0.35) KDM4EALDH1A1TDP1
SCHEMBL6905685 0.72 KDM4E (0.36) KDM4EALDH1A1TDP1
SCHEMBL1525278 0.72 KDM4E (0.41) KDM4EALDH1A1TDP1
SCHEMBL6911566 0.69 KDM4E (0.35) KDM4EALDH1A1TDP1
SCHEMBL12532460 0.69 KDM4E (0.39) KDM4EALDH1A1TDP1
SCHEMBL18030165 0.69 KDM4E (0.39) KDM4EALDH1A1TDP1
SCHEMBL27311648 0.67 KDM4E (0.40) KDM4EALDH1A1TDP1
SCHEMBL765883 0.66 KDM4E (0.35) KDM4EALDH1A1TDP1
SCHEMBL13354403 0.65 KDM4E (0.37) KDM4EALDH1A1TDP1
SCHEMBL7109470 0.65 KDM4E (0.34) KDM4EALDH1A1TDP1

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
EP-1951724-B1 FUSED BICYCLIC mTOR INHIBITORS OSI PHARM INC (US) 2011-04-27 EP disclosed