SCHEMBL8408535

SCHEMBL8408535

Oc1cc(Cl)c(OCCCc2cccc(C(F)(F)F)c2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
IDO1 P14902 2/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
SCN8A Q9UQD0 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
MAOB P27338 6/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
NR4A2 P43354 2/20 0.42
HTR2B P41595 1/20 0.42
NR3C2 P08235 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL8407747 0.96 HDAC1 (0.46) TAAR1IDO1THRATHRBSCN8A
SCHEMBL8408538 0.93 TAAR1 (0.48) TAAR1IDO1THRATHRBSCN8A
SCHEMBL8408998 0.86 THRA (0.55) IDO1THRATHRBMAOBMAPT
SCHEMBL8409230 0.85 MAOB (0.40) TAAR1IDO1THRBSCN8AHDAC1
SCHEMBL8405879 0.83 MRGPRX4 (0.48) MAOBNR4A2HTTL3MBTL1
SCHEMBL8409281 0.82 TAAR1 (0.42) TAAR1IDO1SCN8AMAOBNR4A2
SCHEMBL8407327 0.82 CNR1 (0.45) THRATHRBFFAR4
SCHEMBL8408784 0.82 HTR3E (0.46) TAAR1IDO1THRATHRBMAOB
SCHEMBL8658361 0.81 SCN8A (0.39) TAAR1THRATHRBSCN8AHDAC1
SCHEMBL8407426 0.81 NR4A2 (0.58) THRATHRBMAOBMAPTPOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5872137-A AROMATIC OXY DIHALOPRENE COMPOUNDS INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-16 US disclosed
EP-0722430-B1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 1998-10-21 EP disclosed
EP-0722430-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-07-24 EP disclosed
WO-1996004228-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-02-15 WO disclosed