SCHEMBL6770751

SCHEMBL6770751

CC(C)C1CC(=O)c2c(C3CC3)nn(-c3cccc(Cl)c3)c2C1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.45
SRC P12931 2/20 0.42
DHODH Q02127 1/20 0.39
CNR1 P21554 1/20 0.38
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSP90AA1 P07900 1/20 0.34
GFER P55789 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL6168419 0.87 DHODH (0.42) OPRM1DHODHKMT2AMEN1ALDH1A1
SCHEMBL6770575 0.87 GPBAR1 (0.39) OPRM1SRCDHODHKMT2AMEN1
SCHEMBL6769819 0.86 OPRM1 (0.43) OPRM1SRCDHODHKMT2AMEN1
SCHEMBL6767259 0.85 SRC (0.40) SRCDHODHKMT2AMEN1ALDH1A1
SCHEMBL6771222 0.85 OPRM1 (0.47) OPRM1SRCCNR1KMT2AMEN1
SCHEMBL6770539 0.83 SRC (0.39) OPRM1SRCDHODHKMT2AMEN1
SCHEMBL6769850 0.83 OPRM1 (0.38) OPRM1DHODHKMT2AMEN1ALDH1A1
SCHEMBL6772419 0.83 SRC (0.39) SRCDHODHKMT2AMEN1ALDH1A1
SCHEMBL6770490 0.82 ALDH1A1 (0.42) SRCDHODHKMT2AMEN1ALDH1A1
SCHEMBL6776388 0.81 OPRM1 (0.38) OPRM1SRCDHODH

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-6716856-B1 CELL PROLIFERATIVE DISORDERS OR ALZHEIMER'S DISEASE; REDUCED TOXICITY; CDK/CYCLIN KINASE INHIBITORY ACTIVITY PHARMACIA & TUBJOHN SPA (IT) 2004-04-06 US disclosed