SCHEMBL8592803

SCHEMBL8592803

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 9)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.41
THRB P10828 2/20 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
MCHR1 Q99705 1/20 0.34
ESR1 P03372 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL2778642 0.89 THRA (0.47) THRATHRBTLR8XDHHTT
SCHEMBL4622068 0.82 HTR2A (0.49) THRATHRB
SCHEMBL5073881 0.81 THRA (0.47) THRATHRBTLR8XDHHTT
SCHEMBL7080828 0.79 THRA (0.41) THRATHRBTLR8XDHHTT
SCHEMBL7080656 0.79 THRA (0.42) THRATHRBTLR8XDHHTT
SCHEMBL3130075 0.79 THRA (0.41) THRATHRBTLR8XDHHTT
SCHEMBL8062744 0.79 THRA (0.41) THRATHRBTLR8XDHHTT
SCHEMBL3134447 0.77 HTT (0.37) THRATHRBTLR8XDHHTT
SCHEMBL1956731 0.76 LMNA (0.43) THRATHRBTLR8XDHHTT
SCHEMBL23875680 0.74 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-A2 OLIGO-p-PHENYLENE-UNIT-CONTAINING POLYMERS, PROCESS FOR THEIR PRODUCTION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-07 EP disclosed
WO-1996029356-A2 OLIGO-p-PHENYLENE-UNIT-CONTAINING POLYMERS, PROCESS FOR THEIR PRODUCTION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1996-09-26 WO disclosed