SCHEMBL27362980

SCHEMBL27362980

CN1CCOC1(C)c1ccco1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.36
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
KIF11 P52732 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHRM2 P08172 3/20 0.33
CHRM4 P08173 3/20 0.33
CHRM5 P08912 3/20 0.33
CHRM3 P20309 3/20 0.33
HCAR2 Q8TDS4 1/20 0.32
PGR P06401 2/20 0.32
NR3C2 P08235 2/20 0.32
AR P10275 2/20 0.32
NR3C1 P04150 1/20 0.32
CYP1A2 P05177 1/20 0.31
NPC1 O15118 1/20 0.30

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
SCHEMBL753752 0.70 HCAR2 (0.37) CHRM1OPRM1OPRD1OPRK1OPRL1
SCHEMBL28114683 0.68 KMT2A (0.38) CHRM1OPRM1OPRD1OPRK1OPRL1
SCHEMBL28622348 0.67
SCHEMBL27699292 0.64 HCAR2 (0.33) CHRM1OPRM1OPRD1OPRK1OPRL1
SCHEMBL13992792 0.63 ALDH1A1 (0.38) CHRM1OPRM1OPRD1OPRK1OPRL1
SCHEMBL1427903 0.63 ALDH1A1 (0.32) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6768722 0.63 HCAR2 (0.35) CHRM1OPRM1OPRD1OPRK1OPRL1
SCHEMBL13992800 0.62 SLC6A4 (0.38) CHRM1OPRM1OPRD1OPRK1OPRL1
SCHEMBL28572553 0.61 HCAR2 (0.31) OPRM1OPRD1OPRK1OPRL1HCAR2
SCHEMBL27667589 0.59 HCAR2 (0.38) HCAR2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1061322-A The safe of benzoic acid derivative class weed killer herbicide MONSANTO CO (US) 1992-05-27 CN disclosed