SCHEMBL13890841

SCHEMBL13890841

C=C(CCCCC)c1ccc2c(c1)Oc1cc(C(C)C)ccc1N2c1ccc(CCCC)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UCHL3 P15374 2/20 0.36
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
THRA P10827 10/20 0.33
THRB P10828 10/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
FKBP1A P62942 1/20 0.30
RARB P10826 1/20 0.30
PLK1 P53350 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
SCHEMBL13890877 0.84 FAAH (0.33) FAAHMGLLTHRATHRBMEN1
SCHEMBL13896850 0.83 FAAH (0.32) FAAHMGLLTHRATHRBCNR1
SCHEMBL10118840 0.77 UCHL3 (0.38) UCHL3FAAHMGLLCNR1CNR2
SCHEMBL13890840 0.77 TNNC1 (0.37) UCHL3FAAHMGLLCNR1
SCHEMBL10299934 0.74 FAAH (0.34) FAAHMGLLTHRATHRBMEN1
SCHEMBL2607155 0.71 MGLL (0.42) UCHL3FAAHMGLLCNR1CNR2
SCHEMBL812222 0.70 MGLL (0.41) FAAHMGLL
SCHEMBL19320303 0.69 FAAH (0.50) FAAHMGLLCNR1CNR2PLK1
SCHEMBL12433818 0.68 MGLL (0.40) FAAHMGLLPLK1
SCHEMBL10299933 0.67 FAAH (0.36) FAAHMGLLCNR1CNR2PLK1

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-2048177-A1 POLYMER COMPOUND AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME Sumitomo Chemical Company, Limited (JP) 2009-04-15 EP disclosed