SCHEMBL11265862

SCHEMBL11265862

CCC(CCC(CN)c1cccc(OC)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
MTNR1A P48039 6/20 0.46
MTNR1B P49286 6/20 0.46
AOC3 Q16853 2/20 0.42
CHEK1 O14757 1/20 0.42
ROCK2 O75116 1/20 0.42
RPS6KA5 O75582 1/20 0.42
MAP4K4 O95819 1/20 0.42
CHEK2 O96017 1/20 0.42
PRKCG P05129 1/20 0.42
CDK1 P06493 1/20 0.42
PRKACA P17612 1/20 0.42
RPS6KB1 P23443 1/20 0.42
CDK2 P24941 1/20 0.42
MAPK1 P28482 1/20 0.42
AKT1 P31749 1/20 0.42
AKT2 P31751 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
IRAK1 P51617 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
SCHEMBL11271490 0.87 STING1 (0.40) MTNR1AMTNR1BMAPK1AKR1C3AKR1C2
SCHEMBL4989684 0.84 L3MBTL1 (0.48) L3MBTL1MTNR1AMTNR1BAOC3CHEK1
SCHEMBL7411654 0.80 AOC3 (0.48) L3MBTL1MTNR1AMTNR1BAOC3
SCHEMBL5180963 0.80 L3MBTL1 (0.49) L3MBTL1MTNR1AMTNR1BAOC3CHEK1
SCHEMBL5778033 0.79 AOC3 (0.50) L3MBTL1MTNR1AMTNR1BAOC3CHEK1
SCHEMBL11276741 0.79 KMT2A (0.47) L3MBTL1MTNR1AMTNR1BAKR1C3AKR1C2
SCHEMBL21631926 0.79 GABBR2 (0.61) L3MBTL1MTNR1AMTNR1BAOC3
SCHEMBL11081355 0.78 AOC3 (0.54) L3MBTL1MTNR1AMTNR1BAOC3
SCHEMBL11265857 0.76 L3MBTL1 (0.47) L3MBTL1MTNR1AMTNR1BAOC3CHEK1
SCHEMBL5181402 0.76 L3MBTL1 (0.56) L3MBTL1MTNR1AMTNR1BAOC3CHEK1

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
EP-0062019-A1 New phenyl-perhydroazepines Aktiebolaget Hässle (SE) 1982-10-06 EP disclosed