SCHEMBL8185447

SCHEMBL8185447

CCOC(=O)C1(Cc2ccc3ccccc3c2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.57
MEN1 O00255 8/20 0.57
ALDH1A1 P00352 7/20 0.53
MAPT P10636 3/20 0.53
HTT P42858 2/20 0.53
KDM4E B2RXH2 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.50
LMNA P02545 3/20 0.48
POLB P06746 1/20 0.46

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
SCHEMBL965515 0.87 LMNA (0.62) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL16112188 0.85 LMNA (0.55) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL1222109 0.84 MEN1 (0.52) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL22789557 0.84 MEN1 (0.53) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL23986656 0.84 ALDH1A1 (0.66) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL7845532 0.84 MEN1 (0.52) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL22309108 0.84 MEN1 (0.68) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL8878617 0.83 KMT2A (0.65) KMT2AMEN1ALDH1A1L3MBTL1LMNA
SCHEMBL3355644 0.83 KMT2A (0.52) KMT2AMEN1ALDH1A1L3MBTL1LMNA
SCHEMBL15549442 0.83 FPR2 (0.53) KMT2AMEN1ALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047673-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 2000-11-02 EP disclosed
US-6048856-A ANALGESICS; ANTIINFLAMMATORY AGENTS NOVO NORDISK A/S (DK) 2000-04-11 US disclosed
WO-1999031058-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1999-06-24 WO disclosed