SCHEMBL8405685

SCHEMBL8405685

Oc1ccc(OCc2cc(Cl)c(Oc3ccc(Cl)cc3)c(Cl)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.60
THRB P10828 2/20 0.60
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
MAOB P27338 6/20 0.46
APP P05067 2/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NR4A2 P43354 1/20 0.45
MAPK1 P28482 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
MAOA P21397 2/20 0.44

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
SCHEMBL8405496 0.88 THRB (0.57) THRATHRBMAOBAPPLMNA
SCHEMBL3624903 0.79 MAOB (0.69) MAOBAPPLMNACYP1A2PTGS1
SCHEMBL28849634 0.79 THRA (0.60) THRATHRBLMNAMAPK1
SCHEMBL11600066 0.79 MAOB (0.69) MAOBAPPLMNACYP1A2PTGS1
SCHEMBL7782082 0.78 LMNA (0.57) MAOBAPPLMNACYP1A2PTGS1
SCHEMBL9623499 0.77 THRA (0.62) THRATHRBMAPK1
SCHEMBL9657433 0.73 MEN1 (0.74) MAOBMAPK1MAOA
SCHEMBL989610 0.73 MEN1 (0.74) MAOBMAPK1MAOA
SCHEMBL6658670 0.73 THRB (0.57) THRATHRBMAOBMAPK1MAOA
SCHEMBL8405686 0.73 CCR5 (0.48) THRATHRBFNTAFNTBMAOB

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-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