SCHEMBL11073759

SCHEMBL11073759

C=CCN1C(C)(C)CC(N2CC(C(=O)OC)CC2=O)CC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA4 P22748 3/20 0.37
CA6 P23280 3/20 0.37
CA7 P43166 3/20 0.37
CA9 Q16790 3/20 0.37
CA13 Q8N1Q1 3/20 0.37
CA12 O43570 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA5B Q9Y2D0 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL11072919 0.83 BRD4 (0.49) BRD4ALDH1A1GAACA1CA2
SCHEMBL11065362 0.81 BRD4 (0.55) BRD4ALDH1A1GAACA1CA2
SCHEMBL11260515 0.79 BRD4 (0.49) BRD4ALDH1A1GAACA1CA2
SCHEMBL11273367 0.79 SMN1; SMN2 (0.45) BRD4ALDH1A1GAAL3MBTL1CYP3A4
SCHEMBL11065079 0.77 BRD4 (0.35) BRD4ALDH1A1GAAL3MBTL1CYP3A4
SCHEMBL9032885 0.76 BRD4 (0.51) BRD4ALDH1A1GAACA1CA2
SCHEMBL1531470 0.74 BRD4 (0.55) BRD4ALDH1A1GAACA1CA2
SCHEMBL17184777 0.74 BRD4 (0.62) BRD4ALDH1A1GAACA1CA2
SCHEMBL1461817 0.71 POLB (0.59) BRD4ALDH1A1GAAL3MBTL1CYP3A4
SCHEMBL328967 0.70 POLB (0.67) BRD4ALDH1A1GAAL3MBTL1CYP3A4

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