SCHEMBL9367601

SCHEMBL9367601

BrCC1(c2ccc(-c3ccccc3)cc2)OCCO1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 3/20 0.39
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRND Q07001 1/20 0.36
ALDH1A1 P00352 2/20 0.35
PTPN1 P18031 1/20 0.35
GSK3B P49841 1/20 0.35
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 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
SCHEMBL10853389 0.93 SLC6A2 (0.40) MAPK1TSHRSMN1; SMN2L3MBTL1SLC6A2
SCHEMBL169659 0.88 L3MBTL1 (0.47) MAPK1TSHRSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9531677 0.86 MAPK1 (0.38) MAPK1TSHRSMN1; SMN2L3MBTL1SLC6A2
SCHEMBL10852562 0.84 L3MBTL1 (0.37) MAPK1TSHRSMN1; SMN2L3MBTL1SLC6A2
SCHEMBL10849609 0.84 ALDH1A1 (0.38) MAPK1TSHRSLC6A4SLC6A3ALDH1A1
SCHEMBL10852424 0.84 MAOB (0.35) L3MBTL1SLC6A2SLC6A3CHRNA1CHRNG
SCHEMBL10852241 0.83 SLC6A2 (0.41) MAPK1SLC6A2SLC6A4SLC6A3CHRNA1
SCHEMBL12134290 0.81 TSHR (0.40) MAPK1TSHRSMN1; SMN2L3MBTL1SLC6A2
SCHEMBL28170516 0.81 MAPK1 (0.41) MAPK1TSHRSMN1; SMN2L3MBTL1
SCHEMBL10847642 0.80 CHRNA1 (0.37) SLC6A2CHRNA1CHRNGCHRNB1CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0555365-B1 2-(3-OXYPYRIDINYL)-1,3-DIOXOLANE AND DIOXANE COMPOUNDS, COMPOSITIONS CONTAINING SAME AND PROCESS FOR CONTROLLING FUNGI USING SAME UNIROYAL CHEM CO INC (US) 1994-12-14 EP disclosed
WO-1992007848-A1 2-(3-OXYPYRIDINYL)-1,3-DIOXOLANE AND DIOXANE COMPOUNDS, COMPOSITIONS CONTAINING SAME AND PROCESS FOR CONTROLLING FUNGI USING SAME UNIROYAL CHEMICAL COMPANY, INC. (US) 1992-05-14 WO disclosed
US-5071862-A Protective coatings, pollution control UNIROYAL CHEMICAL COMPANY, INC. (US) 1991-12-10 US disclosed
US-4568678-A Substituted N-alkyl imidazoles to treat convulsions SYNTEX (U.S.A.) INC. (US) 1986-02-04 US disclosed
EP-0091286-A2 Anticonvulsant active substituted N-alkyl imidazoles SYNTEX (U.S.A.) INC. (US) 1983-10-12 EP disclosed