SCHEMBL7080656

SCHEMBL7080656

CC(C)CCOc1cc(CCc2cc(OCCC(C)C)c(Br)cc2OCCC(C)C)c(OCCC(C)C)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.42
THRB P10828 2/20 0.42
HTR2A P28223 11/20 0.41
TAAR1 Q96RJ0 3/20 0.41
HTR2C P28335 1/20 0.41
TLR8 Q9NR97 1/20 0.37
XDH P47989 1/20 0.37
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL3130075 0.90 THRA (0.41) THRATHRBHTR2ATAAR1HTR2C
SCHEMBL2778642 0.89 THRA (0.47) THRATHRBHTR2ATAAR1TLR8
SCHEMBL4622068 0.82 HTR2A (0.49) THRATHRBHTR2ATAAR1HTR2C
SCHEMBL5073881 0.81 THRA (0.47) THRATHRBTLR8XDHHTT
SCHEMBL8592803 0.79 THRA (0.41) THRATHRBTLR8XDHHTT
SCHEMBL8062744 0.79 THRA (0.41) THRATHRBHTR2ATAAR1TLR8
SCHEMBL7080828 0.79 THRA (0.41) THRATHRBHTR2ATAAR1TLR8
SCHEMBL3134444 0.78 THRA (0.34) THRATHRBHTR2ATAAR1TLR8
SCHEMBL13374131 0.77 THRA (0.36) THRATHRBHTR2ATAAR1TLR8
SCHEMBL1956731 0.76 LMNA (0.43) THRATHRBHTR2ATAAR1TLR8

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