SCHEMBL11468299

SCHEMBL11468299

COc1cccc(C(CCO)OC)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.59
L3MBTL1 Q9Y468 1/20 0.48
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
TAAR1 Q96RJ0 2/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
CASR P41180 1/20 0.43

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
SCHEMBL14402423 0.85 AOC3 (0.60) AOC3L3MBTL1SLC6A2SLC6A4MTNR1A
SCHEMBL9392741 0.83 MTNR1A (0.58) AOC3L3MBTL1ROCK2ROCK1MTNR1A
SCHEMBL11174933 0.81 AOC3 (0.50) AOC3L3MBTL1ROCK2ROCK1MTNR1A
SCHEMBL6490320 0.81 AOC3 (0.62) AOC3L3MBTL1ROCK2ROCK1MTNR1A
SCHEMBL28538450 0.81 AOC3 (0.49) AOC3L3MBTL1SLC6A2SLC6A4ROCK2
SCHEMBL24527630 0.80 AOC3 (0.53) AOC3L3MBTL1ROCK2ROCK1MTNR1A
SCHEMBL6301269 0.80 MTNR1A (0.63) AOC3L3MBTL1ROCK2ROCK1MTNR1A
SCHEMBL382558 0.80 AOC3 (0.53) AOC3L3MBTL1ROCK2ROCK1MTNR1A
SCHEMBL19217778 0.79 AOC3 (0.62) AOC3L3MBTL1SLC6A2SLC6A4TSHR
SCHEMBL4032416 0.79 AOC3 (0.67) AOC3L3MBTL1ROCK2ROCK1MAPK1

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
US-4186142-A Cyclization substrates and 6α-substituted 19-norsteroid derivatives AKZONA INCORPORATED (US) 1980-01-29 US disclosed