SCHEMBL3107532

SCHEMBL3107532

[C]#CCCCc1ccc(C)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.42
IGF1R P08069 2/20 0.34
ALOX15 P16050 2/20 0.34
CNR1 P21554 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP4Z1 Q86W10 1/20 0.33
CYP4F11 Q9HBI6 1/20 0.33
CYP4F12 Q9HCS2 1/20 0.33
HTT P42858 1/20 0.33
NQO1 P15559 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA10 Q9GZZ6 1/20 0.32
CHRNA9 Q9UGM1 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
SCHEMBL1611143 0.94 SKP2 (0.41) SKP2IGF1RALOX15CNR1CYP3A4
SCHEMBL1611114 0.93 SKP2 (0.40) SKP2IGF1RALOX15CNR1CYP3A4
SCHEMBL3100890 0.93 SKP2 (0.40) SKP2IGF1RALOX15CNR1CYP3A4
SCHEMBL1610534 0.88 SKP2 (0.36) SKP2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL1611929 0.80 SKP2 (0.32) SKP2HTT
SCHEMBL31556195 0.79 SKP2 (0.50) SKP2IGF1RALOX15CNR1CYP3A4
SCHEMBL1611264 0.78 CYP1A2 (0.46) IGF1RALOX15CYP1A2
SCHEMBL29597103 0.76 PTGS1 (0.45) SKP2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL29380988 0.76 PTGS1 (0.45) SKP2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL311370 0.76 PTGS1 (0.45) SKP2CNR1CYP3A4CYP2D6CYP2C9

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-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed