SCHEMBL7080828

SCHEMBL7080828

CC(C)CCOc1cc(/C=C/c2cc(OCCC(C)C)c(Br)cc2OCCC(C)C)c(OCCC(C)C)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.41
THRB P10828 2/20 0.41
LMNA P02545 2/20 0.38
TLR8 Q9NR97 1/20 0.37
XDH P47989 1/20 0.37
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MCHR1 Q99705 1/20 0.34
ESR1 P03372 1/20 0.33
PRKDC P78527 1/20 0.33
PTPN1 P18031 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
IDO1 P14902 1/20 0.33
HTR2A P28223 3/20 0.33
TAAR1 Q96RJ0 2/20 0.33
MAPK1 P28482 1/20 0.33
ALOX5 P09917 1/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL8062744 1.00 THRA (0.41) THRATHRBLMNATLR8XDH
SCHEMBL3139330 0.92 ESR1 (0.38) THRATHRBLMNATLR8XDH
SCHEMBL13374133 0.92 ESR1 (0.38) THRATHRBLMNATLR8XDH
SCHEMBL2778642 0.89 THRA (0.47) THRATHRBTLR8XDHHTT
SCHEMBL4622068 0.82 HTR2A (0.49) THRATHRBHTR2ATAAR1
SCHEMBL5073881 0.81 THRA (0.47) THRATHRBLMNATLR8XDH
SCHEMBL11957249 0.80 HTR2A (0.37) LMNATDP1PRKDCPTPN1MEN1
SCHEMBL3130075 0.79 THRA (0.41) THRATHRBTLR8XDHHTT
SCHEMBL8592803 0.79 THRA (0.41) THRATHRBTLR8XDHHTT
SCHEMBL7080656 0.79 THRA (0.42) THRATHRBTLR8XDHHTT

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
EP-0815156-B1 OLIGO-p-PHENYLENE-UNIT-CONTAINING POLYMERS, PROCESS FOR THEIR PRODUCTION AND THEIR USE COVION ORGANIC SEMICONDUCTORS (DE) 2003-07-09 EP disclosed
US-6114490-A ELECTROLUMINESCENCE MATERIALS HOECHST AKTIENGESELLSCHAFT (DE) 2000-09-05 US disclosed