SCHEMBL18314760

SCHEMBL18314760

CCCCC(CC)COC(=O)CCNCCNCCNCCNCCC(=O)OCC(CC)CCCC

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.73
TSHR P16473 4/20 0.73
TDP1 Q9NUW8 2/20 0.73
ATM Q13315 1/20 0.73
RECQL P46063 1/20 0.54
ALDH1A1 P00352 7/20 0.49
CA2 P00918 4/20 0.49
LMNA P02545 3/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP14 P50281 1/20 0.45
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
MAPT P10636 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL18314802 1.00 CYP3A4 (0.73) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL17779514 0.95 CYP3A4 (0.71) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL29268656 0.94 CYP3A4 (0.69) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL7775743 0.93 CYP3A4 (0.68) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL29489877 0.90 TSHR (0.64) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL29203847 0.90 CYP3A4 (0.64) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL27082293 0.90 CYP3A4 (0.64) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL9933284 0.88 CYP3A4 (0.61) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL9934509 0.88 CYP3A4 (0.61) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL44320 0.87 CYP3A4 (0.89) CYP3A4TSHRTDP1ATMRECQL

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-3307858-B1 MICHAEL ADDUCT AMINO ESTERS AS TOTAL BASE NUMBER BOOSTERS FOR MARINE DIESEL ENGINE LUBRICATING COMPOSITIONS LUBRIZOL CORP (US) 2021-06-09 EP disclosed
US-10577556-B2 Michael adduct amino esters as total base number boosters for marine diesel engine lubricating compositions THE LUBRIZOL CORPORATION (US) 2020-03-03 US disclosed
US-20180208868-A1 Michael Adduct Amino Esters As Total Base Number Boosters For Marine Diesel Engine Lubricating Compositions THE LUBRIZOL CORPORATION 2018-07-26 US disclosed
WO-2016201201-A1 MICHAEL ADDUCT AMINO ESTERS AS TOTAL BASE NUMBER BOOSTERS FOR MARINE DIESEL ENGINE LUBRICATING COMPOSITIONS THE LUBRIZOL CORPORATION (US) 2016-12-15 WO disclosed