SCHEMBL16615349

SCHEMBL16615349

CCCCCCc1ccc(-c2cc(N(c3cc(-c4ccc(CCCCCC)cc4)c(C)c(-c4ccc(CCCCCC)cc4)c3)c3c(C)cc(C)cc3C)cc(-c3ccc(CCCCCC)cc3)c2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.47
HTR2A P28223 1/20 0.43
HSD17B10 Q99714 3/20 0.40
TSHR P16473 1/20 0.40
LPL P06858 4/20 0.40
LIPG Q9Y5X9 4/20 0.40
TRPV1 Q8NER1 1/20 0.40
MGLL Q99685 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
RARA P10276 2/20 0.40
MTOR P42345 1/20 0.40
ESR1 P03372 2/20 0.40
ADRA2A P08913 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
TACR2 P21452 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40

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
SCHEMBL16615343 0.86 RARB (0.48) RARBHTR2AHSD17B10TSHRLPL
SCHEMBL16615380 0.86 LPL (0.49) RARBHTR2AHSD17B10LPLLIPG
SCHEMBL16615338 0.81 PTGS2 (0.46) HTR2AHSD17B10LPLLIPGTRPV1
SCHEMBL17945970 0.79 PTGS2 (0.41) RARBHTR2AHSD17B10LPLLIPG
SCHEMBL19996207 0.79 PTGS2 (0.43) RARBHTR2AHSD17B10LPLLIPG
SCHEMBL21316682 0.78 MEN1 (0.33) TSHRALDH1A1MEN1MAPTKMT2A
SCHEMBL16682984 0.77 PTGS2 (0.44) RARBHTR2AHSD17B10LPLLIPG
SCHEMBL6934071 0.75 RARB (0.52) RARBHTR2AHSD17B10TSHRLPL
SCHEMBL11808834 0.75 RARB (0.54) RARBHSD17B10TSHRLPLLIPG
SCHEMBL16615348 0.74 LPL (0.44) RARBLPLLIPG

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