SCHEMBL793587

SCHEMBL793587

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
NFKB1 P19838 1/20 0.46
PTGS1 P23219 1/20 0.46
APEX1 P27695 1/20 0.46
THPO P40225 1/20 0.46
PMP22 Q01453 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
BRD4 O60885 4/20 0.40
POLB P06746 2/20 0.34
RAB9A P51151 1/20 0.32
TSHR P16473 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.31
CHRM2 P08172 1/20 0.31

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 0.83 POLB (0.51) MEN1LMNACYP3A4CYP2C9NFKB1
SCHEMBL793001 0.81 BRD4 (0.54) MEN1KMT2ABRD4SMN1; SMN2MAPT
SCHEMBL20665982 0.80 BRD4 (0.45) BRD4POLBTSHRHTTMAPT
SCHEMBL8750280 0.78 BRD4 (0.39) CYP3A4TDP1BRD4ALDH1A1
SCHEMBL3822795 0.76 BRD4 (0.61) MEN1LMNACYP3A4CYP2C9NFKB1
SCHEMBL688823 0.74 BRD4 (0.49) BRD4POLBSMN1; SMN2MAPTCHRM4
SCHEMBL21026694 0.74 BRD4 (0.49) MEN1KMT2ABRD4POLBCHRM2
SCHEMBL18472043 0.74 BRD4 (0.49) MEN1KMT2ABRD4POLBCHRM2
SCHEMBL17294389 0.74 BRD4 (0.49) MEN1KMT2ABRD4POLBCHRM2
SCHEMBL14856811 0.74 BRD4 (0.49) BRD4POLBSMN1; SMN2MAPTCHRM4

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 5 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
EP-2028247-A1 Use of 1-alkyl-5-oxo-pyrrolidine-3-carbolic acid esters as gas hydrate inhibitors with improved biological degradability CLARIANT INTERNATIONAL LTD. (CH) 2009-02-25 EP disclosed