SCHEMBL16615343

SCHEMBL16615343

CCCCCCc1ccc(-c2cc(-c3ccc(CCCCCC)cc3)cc(N(c3cc(-c4ccc(CCCCCC)cc4)cc(-c4ccc(CCCCCC)cc4)c3)c3c(C)cc(C)cc3C)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.48
HSD17B10 Q99714 3/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 3/20 0.44
RARA P10276 2/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
MTOR P42345 1/20 0.44
RARG P13631 1/20 0.42
LPL P06858 3/20 0.42
LIPG Q9Y5X9 3/20 0.42
TRPV1 Q8NER1 1/20 0.42
MGLL Q99685 1/20 0.42
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41

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
SCHEMBL17945970 0.90 PTGS2 (0.41) RARBHSD17B10ALDH1A1LPLLIPG
SCHEMBL16615380 0.88 LPL (0.49) RARBHSD17B10ALDH1A1LPLLIPG
SCHEMBL16615349 0.86 RARB (0.47) RARBHSD17B10TSHRALDH1A1RARA
SCHEMBL16615348 0.84 LPL (0.44) RARBLPLLIPG
SCHEMBL16615338 0.84 PTGS2 (0.46) HSD17B10ALDH1A1LPLLIPGTRPV1
SCHEMBL19996207 0.81 PTGS2 (0.43) RARBHSD17B10ALDH1A1LPLLIPG
SCHEMBL16682984 0.79 PTGS2 (0.44) RARBHSD17B10ALDH1A1LPLLIPG
SCHEMBL15854793 0.78 SKP2 (0.44) RARBHSD17B10TSHRTP53CYP3A4
SCHEMBL12593395 0.78 SKP2 (0.44) RARBHSD17B10TSHRTP53CYP3A4
SCHEMBL14063941 0.77 HSD17B10 (0.54) RARBHSD17B10TSHRALDH1A1RARA

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 2 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