SCHEMBL11646232

SCHEMBL11646232

CCOC(COS(=O)OCC(OCC)Oc1ccccc1-c1ccccc1)Oc1ccccc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.39
ADRA2B P18089 5/20 0.39
ADRA2C P18825 5/20 0.39
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
NISCH Q9Y2I1 1/20 0.38
ADRB2 P07550 4/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR7 P34969 1/20 0.35
DRD1 P21728 1/20 0.35
PTPRC P08575 1/20 0.35
ADRB1 P08588 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 2/20 0.34

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
SCHEMBL11648095 0.90 ADRA2A (0.33) ADRA2AADRA2BADRA2CMAOAMAOB
SCHEMBL11646848 0.90 ADRA2A (0.37) ADRA2AADRA2BADRA2CMAOAMAOB
SCHEMBL27164816 0.76 L3MBTL1 (0.39) ADRA2AADRA2BADRA2CKDM4EALDH1A1
SCHEMBL4054605 0.73 ADRA2A (0.46) ADRA2AADRA2BADRA2CMAOAMAOB
SCHEMBL11649325 0.72 KDM4E (0.42) ADRA2AADRA2BADRA2CMAOAMAOB
SCHEMBL818839 0.72 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2PKMMEN1
SCHEMBL11647260 0.71 MAOB (0.36) ADRA2AADRA2BADRA2CMAOAMAOB
SCHEMBL11646661 0.70 KDM4E (0.39) ADRA2AADRA2BADRA2CMAOAMAOB
SCHEMBL11646958 0.70 ADRA2A (0.39) ADRA2AADRA2BADRA2CMAOAMAOB
SCHEMBL11764431 0.70 ADRA2A (0.34) ADRA2AADRA2BADRA2CMAOAMAOB

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-4104401-A Control of insects and acarids with alkynyl phenylphenol divalent aliphatic sulfites UNIROYAL, INC. (US) 1978-08-01 US disclosed
US-4003940-A INSECTICIDES, ACARICIDES UNIROYAL INC. (US) 1977-01-18 US disclosed