SCHEMBL11067688

SCHEMBL11067688

CN1C(C)(C)CC(N2CC(C(=O)OCC(COC(=O)C3CC(=O)N(C4CC(C)(C)N(C)C(C)(C)C4)C3)(COC(=O)C3CC(=O)N(C4CC(C)(C)N(C)C(C)(C)C4)C3)COC(=O)C3CC(=O)N(C4CC(C)(C)N(C)C(C)(C)C4)C3)CC2=O)CC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 3/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HSD17B10 Q99714 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL11065079 0.83 BRD4 (0.35) BRD4GAAPOLBHPGDALDH1A1
SCHEMBL11065362 0.83 BRD4 (0.55) BRD4GAAPOLBHPGDALDH1A1
SCHEMBL11067691 0.80 POLB (0.49) GAAPOLBKMT2AL3MBTL1MAPT
SCHEMBL11073784 0.79 POLB (0.56) GAAPOLBKMT2AALDH1A1MAPT
SCHEMBL11076964 0.78 POLB (0.41) BRD4GAAPOLBKMT2AALDH1A1
SCHEMBL11267150 0.75 ALDH1A1 (0.38) BRD4GAAPOLBKMT2AALDH1A1
SCHEMBL11072919 0.73 BRD4 (0.49) BRD4GAAPOLBHPGDKMT2A
SCHEMBL3823508 0.72 BRD4 (0.58) BRD4GAAHPGDKMT2AALDH1A1
SCHEMBL11260515 0.71 BRD4 (0.49) BRD4GAAPOLBALDH1A1L3MBTL1
SCHEMBL3826958 0.71 BRD4 (0.59) BRD4GAAHPGDKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0020293-B1 STABILISING COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1984-05-23 EP claimed
US-4309546-A Piperidino pyrrolidinones CIBA-GEIGY CORPORATION (US) 1982-01-05 US claimed
EP-0020293-A1 Stabilising compounds, process for their preparation and compositions containing them CIBA-GEIGY AG (CH) 1980-12-10 EP claimed
US-4309546-A Piperidino pyrrolidinones CIBA-GEIGY CORPORATION (US) 1982-01-05 US disclosed