SCHEMBL11468345

SCHEMBL11468345

COC(=O)CC(OC)c1cccc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MTNR1A P48039 6/20 0.49
MTNR1B P49286 6/20 0.49
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL8770883 0.83 L3MBTL1 (0.73) AOC3L3MBTL1MTNR1AMTNR1BTDP1
SCHEMBL11475728 0.83 L3MBTL1 (0.56) AOC3L3MBTL1MTNR1AMTNR1BMEN1
SCHEMBL6185468 0.82 L3MBTL1 (0.58) AOC3L3MBTL1MTNR1AMTNR1BTDP1
SCHEMBL6306108 0.82 MTNR1A (0.63) AOC3L3MBTL1MTNR1AMTNR1BTDP1
SCHEMBL8967598 0.81 AOC3 (0.50) AOC3L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL7624631 0.80 KCNA5 (0.50) L3MBTL1MEN1KMT2APOLBALDH1A1
SCHEMBL2500312 0.78 L3MBTL1 (0.51) AOC3L3MBTL1MTNR1AMTNR1BTDP1
SCHEMBL641815 0.77 HDAC1 (0.52) AOC3L3MBTL1MTNR1AMTNR1BTDP1
SCHEMBL20103399 0.77 FFAR1 (0.57) L3MBTL1POLB
SCHEMBL11468299 0.76 AOC3 (0.59) AOC3L3MBTL1MTNR1AMTNR1B

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