SCHEMBL3823832

SCHEMBL3823832

CCCCCCCCC=CCCCCCCCCN1CC(C(=O)OCC(CC)CCCC)CC1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 4/20 0.39
TSHR P16473 3/20 0.39
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
CYP3A4 P08684 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
ATM Q13315 1/20 0.38
CA2 P00918 1/20 0.37
MGLL Q99685 2/20 0.36
FAAH O00519 1/20 0.36
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
BRD4 O60885 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
SCHEMBL3823823 1.00 MEN1 (0.40) MEN1CYP2C19KMT2AL3MBTL1ALDH1A1
SCHEMBL3825321 0.89 MEN1 (0.47) MEN1CYP2C19KMT2AL3MBTL1ALDH1A1
SCHEMBL3825328 0.89 MEN1 (0.47) MEN1CYP2C19KMT2AL3MBTL1ALDH1A1
SCHEMBL14477970 0.89 L3MBTL1 (0.48) MEN1CYP2C19KMT2AL3MBTL1ALDH1A1
SCHEMBL3844849 0.89 MEN1 (0.40) MEN1CYP2C19KMT2AL3MBTL1ALDH1A1
SCHEMBL16511627 0.84 PRSS1 (0.43) MEN1CYP2C19KMT2AL3MBTL1ALDH1A1
SCHEMBL3823829 0.84 TSHR (0.44) ALDH1A1TSHRPRSS1PRSS2PRSS3
SCHEMBL12667785 0.84 CYP3A4 (0.46) MEN1CYP2C19KMT2AL3MBTL1ALDH1A1
SCHEMBL1361571 0.83 L3MBTL1 (0.42) MEN1CYP2C19KMT2AL3MBTL1ALDH1A1
SCHEMBL14990686 0.82 CYP3A4 (0.45) MEN1CYP2C19KMT2AL3MBTL1ALDH1A1

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