SCHEMBL6015236

SCHEMBL6015236

CCCCCCc1ccc(C2(c3ccc(CCCCCC)cc3)C3=C(C=CC(Br)C3)c3ccc(Br)cc32)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ESR1 P03372 2/20 0.31
ADRA2A P08913 2/20 0.31
ADORA3 P0DMS8 2/20 0.31
TACR2 P21452 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
SHBG P04278 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL14934755 1.00 NPC1 (0.32) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL14554125 0.89 LPL (0.32) SLC6A2SLC6A4HTR2CHTR2ASPHK1
SCHEMBL17945981 0.89 RARB (0.31) HSD17B10
SCHEMBL16675102 0.85 SPHK2 (0.30) SPHK1
SCHEMBL18472742 0.82
SCHEMBL16276517 0.81 LPL (0.34) SPHK1GPR3
SCHEMBL20279901 0.80 CNR2 (0.31)
SCHEMBL15132544 0.79 ESR1 (0.42) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL2825081 0.79 ESR1 (0.42) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL29971139 0.79 ESR1 (0.42) NPC1GAANFKB1RAB9ANFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160218291-A1 POLYMER AND ORGANIC LIGHT EMITTING DEVICE CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2016-07-28 US disclosed
WO-2015044656-A1 POLYMER AND ORGANIC LIGHT EMITTING DEVICE CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2015-04-02 WO disclosed
US-20140217376-A1 ORGANIC LIGHT EMISSIVE MATERIAL AND DEVICE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2014-08-07 US disclosed
WO-2012052713-A1 ORGANIC LIGHT-EMITTING DEVICE AND METHOD CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2012-04-26 WO disclosed