SCHEMBL14554125

SCHEMBL14554125

CCCCCCc1cccc(C2(c3cccc(CCCCCC)c3)C3=C(C=CC(Br)C3)c3ccc(Br)cc32)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPL P06858 3/20 0.32
LIPG Q9Y5X9 3/20 0.32
GPR3 P46089 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
SPHK2 Q9NRA0 3/20 0.31
SPHK1 Q9NYA1 2/20 0.31
DRD2 P14416 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
SLC6A4 P31645 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
SCHEMBL16675102 0.96 SPHK2 (0.30) LPLLIPGSPHK2SPHK1
SCHEMBL17945981 0.90 RARB (0.31)
SCHEMBL16276517 0.90 LPL (0.34) LPLLIPGGPR3CYP1A2CYP2D6
SCHEMBL14934755 0.89 NPC1 (0.32) GPR3SPHK1SLC6A2HTR2AHTR2C
SCHEMBL6015236 0.89 NPC1 (0.32) GPR3SPHK1SLC6A2HTR2AHTR2C
SCHEMBL21338500 0.87 SPHK2 (0.30) LPLLIPGSPHK2SPHK1
SCHEMBL12544748 0.80 LPL (0.43) LPLLIPGGPR3CYP1A2CYP2D6
SCHEMBL20279901 0.80 CNR2 (0.31)
SCHEMBL19491409 0.77
SCHEMBL21316681 0.77 TDP2 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493613-B2 Organic light emitting composition, device and method CAMBRIDGE DISPLAY TECHNOLOGY, LTD. (GB) 2016-11-15 US disclosed
US-20140217379-A1 ORGANIC LIGHT EMITTING COMPOSITION, DEVICE AND METHOD CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2014-08-07 US disclosed
US-20130299787-A1 ORGANIC LIGHT-EMITTING DEVICE AND METHOD SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-11-14 US disclosed
WO-2013005029-A1 ORGANIC LIGHT EMITTING COMPOSITION, DEVICE AND METHOD CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2013-01-10 WO disclosed
WO-2013005031-A1 ORGANIC LIGHT EMITTING DEVICE AND METHOD CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2013-01-10 WO disclosed