SCHEMBL13890877

SCHEMBL13890877

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

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.33
MGLL Q99685 1/20 0.33
THRA P10827 8/20 0.33
THRB P10828 8/20 0.33
PLK1 P53350 1/20 0.32
NR1H4 Q96RI1 1/20 0.31
HDAC3 O15379 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
SIGMAR1 Q99720 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ESRRG P62508 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL13896850 0.92 FAAH (0.32) FAAHMGLLTHRATHRBPLK1
SCHEMBL12433818 0.86 MGLL (0.40) FAAHMGLLPLK1SIGMAR1CA1
SCHEMBL13890841 0.84 UCHL3 (0.36) FAAHMGLLTHRATHRBPLK1
SCHEMBL14724259 0.80 CNR2 (0.38) FAAHMGLLSIGMAR1
SCHEMBL14870477 0.78 MGLL (0.38) FAAHMGLLPLK1SIGMAR1CA1
SCHEMBL13460350 0.78 MGLL (0.38) FAAHMGLLPLK1SIGMAR1CA1
SCHEMBL12786788 0.77 CNR2 (0.40) FAAHMGLL
SCHEMBL13354849 0.76 CNR2 (0.39) FAAHMGLL
SCHEMBL10299934 0.74 FAAH (0.34) FAAHMGLLTHRATHRBPLK1
SCHEMBL12644165 0.74 CNR2 (0.38) FAAHMGLL

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