SCHEMBL798077

SCHEMBL798077

COC(=O)OC1CC(=O)N(CC(C)C)C1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
GAA P10253 1/20 0.41
P2RX7 Q99572 2/20 0.40
PER2 O15055 1/20 0.39
CRY2 Q49AN0 1/20 0.39
PIK3CD O00329 2/20 0.37
MEN1 O00255 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
BRD4 O60885 2/20 0.35
ALDH1A1 P00352 3/20 0.35
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CYP19A1 P11511 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
SCHEMBL3844844 0.87 POLB (0.51) POLBGAAP2RX7PER2CRY2
SCHEMBL27918927 0.86 POLB (0.56) POLBGAAP2RX7PER2CRY2
SCHEMBL688493 0.86 POLB (0.60) POLBGAAP2RX7PER2CRY2
SCHEMBL793281 0.79 L3MBTL1 (0.48) POLBMEN1CYP2C19KMT2ABRD4
SCHEMBL8750297 0.79 BRD4 (0.33) POLBGAAPER2CRY2MEN1
SCHEMBL15042171 0.77 POLB (0.69) POLBGAAP2RX7MEN1CYP2C19
SCHEMBL793001 0.76 BRD4 (0.54) P2RX7MEN1KMT2ABRD4SMN1; SMN2
SCHEMBL7273770 0.74 CYP3A4 (0.55) CYP2C19KMT2AALDH1A1SMN1; SMN2
SCHEMBL21133426 0.73 POLB (0.48) POLBGAAP2RX7PER2CRY2
SCHEMBL31733928 0.72 POLB (0.62) POLBGAAP2RX7PIK3CDMEN1

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-2615911-A1 PESTICIDE PREPARATIONS CONTAINING N-SUBSTITUTED 2-PYRROLIDONE-4-CARBONIC ACID ESTERS Clariant Finance (BVI) Limited (VG) 2013-07-24 EP disclosed
EP-2616438-A1 USE OF N-SUBSTITUTED 2-PYRROLIDONE-4-CARBONIC ACID ESTERS AS SOLVENTS Clariant Finance (BV) Limited (VG) 2013-07-24 EP disclosed
WO-2012034689-A1 PESTICIDE PREPARATIONS CONTAINING N-SUBSTITUTED 2-PYRROLIDONE-4-CARBONIC ACID ESTERS CLARIANT INTERNATIONAL LTD (CH) 2012-03-22 WO disclosed
WO-2012034688-A1 USE OF N-SUBSTITUTED 2-PYRROLIDONE-4-CARBONIC ACID ESTERS AS SOLVENTS CLARIANT INTERNATIONAL LTD (CH) 2012-03-22 WO disclosed