SCHEMBL27973010

SCHEMBL27973010

CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.34
SIGMAR1 Q99720 4/20 0.33
PDK2 Q15119 3/20 0.32
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
MMP8 P22894 2/20 0.32
MMP13 P45452 2/20 0.32
APEX1 P27695 1/20 0.31
TLR8 Q9NR97 1/20 0.30

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
SCHEMBL29786689 0.97 SIGMAR1 (0.35) CNR1SIGMAR1MMP2MMP9MMP8
SCHEMBL16616531 0.97 SIGMAR1 (0.35) CNR1SIGMAR1MMP2MMP9MMP8
SCHEMBL27973192 0.96 SIGMAR1 (0.34) CNR1SIGMAR1PDK2APEX1
SCHEMBL13027939 0.93 SIGMAR1 (0.33) CNR1SIGMAR1MMP2MMP9MMP8
SCHEMBL27973215 0.88 SIGMAR1 (0.30) SIGMAR1
SCHEMBL21037140 0.88 CNR1 (0.30) CNR1
SCHEMBL15613338 0.87 PDK2 (0.35) PDK2MMP2MMP9MMP8MMP13
SCHEMBL26700043 0.87 PDK2 (0.35) PDK2MMP2MMP9MMP8MMP13
SCHEMBL19953885 0.87 SIGMAR1 (0.37) SIGMAR1PDK2
SCHEMBL24079322 0.86 PDK2 (0.39) PDK2MMP2MMP9MMP8MMP13

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
CN-104073241-A Organic electrophosphorescent material and preparation method thereof, and organic electroluminescent device OCEANS KING LIGHTING SCIENCE 2014-10-01 CN disclosed