SCHEMBL3823508

SCHEMBL3823508

CN1CC(C(=O)OCC(COC(=O)C2CC(=O)N(C)C2)(COC(=O)C2CC(=O)N(C)C2)COC(=O)C2CC(=O)N(C)C2)CC1=O.[CH2]C([CH2])([CH2])[CH2]

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.58
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 1/20 0.36
P2RX7 Q99572 2/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ACACB O00763 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL3826958 0.90 BRD4 (0.59) BRD4SMN1; SMN2KMT2AP2RX7HPGD
SCHEMBL28956225 0.83 BRD4 (0.67) BRD4SMN1; SMN2KMT2AHPGDALDH1A1
SCHEMBL30282498 0.83 BRD4 (0.67) BRD4SMN1; SMN2KMT2AHPGDALDH1A1
SCHEMBL12667142 0.83 BRD4 (0.67) BRD4SMN1; SMN2KMT2AHPGDALDH1A1
SCHEMBL3826291 0.80 POLB (0.58) BRD4KMT2AP2RX7HPGDALDH1A1
SCHEMBL1362127 0.77 BRD4 (0.63) BRD4SMN1; SMN2KMT2AP2RX7HPGD
SCHEMBL15042223 0.77 BRD4 (0.63) BRD4SMN1; SMN2KMT2AP2RX7HPGD
SCHEMBL3829040 0.77 ALDH1A1 (0.42) BRD4KMT2AHPGDALDH1A1LMNA
SCHEMBL3822795 0.76 BRD4 (0.61) BRD4SMN1; SMN2KMT2AP2RX7HPGD
SCHEMBL12368059 0.75 BRD4 (0.59) BRD4SMN1; SMN2KMT2AHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722589-B2 Use of 1-alkyl-5-oxopyrrolidine-3-carboxylic esters as gas hydrate inhibitors with improved biodegradability CLARIANT FINANCE (BVI) LIMITED (VG) 2014-05-13 US disclosed
US-20090042747-A1 Use of 1-alkyl-5-oxopyrrolidine-3-carboxylic esters as gas hydrate inhibitors with improved biodegradability CLARIANT INTERNATIONAL LTD. 2009-02-12 US disclosed