SCHEMBL19001622

SCHEMBL19001622

CCCCCCc1cc(C)cc(C2(C)c3ccccc3-c3ccc(B4OC(C)(C)C(C)(C)O4)cc32)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 9/20 0.50
LPL P06858 8/20 0.50
GPR3 P46089 1/20 0.34
CNR2 P34972 2/20 0.33
TRPA1 O75762 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2B6 P20813 1/20 0.33
CNR1 P21554 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
OPRM1 P35372 1/20 0.33
CYP2J2 P51589 1/20 0.33
CYP1B1 Q16678 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
TRPV3 Q8NET8 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
TRPV2 Q9Y5S1 1/20 0.33

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
SCHEMBL16302742 0.95 LIPG (0.55) LIPGLPLGPR3CNR2TRPA1
SCHEMBL18216925 0.94 LIPG (0.54) LIPGLPLGPR3CNR2TRPA1
SCHEMBL46866 0.89 LIPG (0.60) LIPGLPLGPR3CNR2TRPA1
SCHEMBL14406716 0.87 LIPG (0.55) LIPGLPLGPR3CNR2TRPA1
SCHEMBL14406681 0.86 LPL (0.54) LIPGLPLCNR2TRPA1CYP1A1
SCHEMBL19462595 0.86 LPL (0.54) LIPGLPLCNR2TRPA1CYP1A1
SCHEMBL20623234 0.84 LPL (0.41) LIPGLPLPRMT5WDR77CSF1R
SCHEMBL17878902 0.84 LPL (0.52) LIPGLPLCNR2TRPA1CYP1A1
SCHEMBL19996226 0.84 LPL (0.54) LIPGLPLCNR2TRPA1CYP1A1
SCHEMBL18216926 0.82 DGAT1 (0.46) LIPGLPLGPR3HSD11B1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3390418-B1 LIGHT-EMITTING COMPOUND CAMBRIDGE DISPLAY TECH LTD (GB) 2020-08-05 EP disclosed
WO-2017103584-A1 LIGHT-EMITTING COMPOUND CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2017-06-22 WO disclosed
WO-2017103586-A1 LIGHT-EMITTING COMPOSITION CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2017-06-22 WO disclosed