SCHEMBL8418152

SCHEMBL8418152

COc1cccc(C(Br)CO)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
CASR P41180 2/20 0.45
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
ABCB11 O95342 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
ACHE P22303 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
SCHEMBL8418151 1.00 AOC3 (0.51) AOC3L3MBTL1TSHRMAPK1CHRM2
SCHEMBL11825718 0.84 AOC3 (0.49) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL2179193 0.84 AOC3 (0.49) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL7681682 0.83 AOC3 (0.50) AOC3L3MBTL1TSHRMAPK1CHRM2
SCHEMBL9212842 0.82 AOC3 (0.51) AOC3L3MBTL1MAPK1CASR
SCHEMBL8661020 0.81 AOC3 (0.54) AOC3L3MBTL1TSHRMAPK1CHRM2
SCHEMBL24925773 0.80 ABCB11 (0.67) AOC3L3MBTL1TSHRMAPK1CHRM2
SCHEMBL6492140 0.80 AOC3 (0.66) AOC3L3MBTL1TSHRMAPK1CHRM2
SCHEMBL16952633 0.80 AOC3 (0.53) AOC3L3MBTL1TSHRMAPK1CHRM2
SCHEMBL20738720 0.80 ABCB11 (0.67) AOC3L3MBTL1TSHRMAPK1CHRM2

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
EP-0713848-B1 Process for producing optically active carbinols SUMIKA FINE CHEMICALS COMPANY (JP) 1999-09-08 EP disclosed
EP-0713848-A1 Process for producing optically active carbinols SUMIKA FINE CHEMICALS Company, Limited (JP) 1996-05-29 EP disclosed