SCHEMBL2579044

SCHEMBL2579044

CC1=C(CCCCCCC2=C(C)C(=O)NC2=O)C(=O)NC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
LMNA P02545 1/20 0.39
PGR P06401 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAOA P21397 1/20 0.39
TBXA2R P21731 1/20 0.39
MAPK1 P28482 1/20 0.39
AVPR2 P30518 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR2B P41595 1/20 0.39
HTT P42858 1/20 0.39
PDE3A Q14432 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SLC29A1 Q99808 1/20 0.39
PTPN2 P17706 1/20 0.35

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
SCHEMBL8443084 1.00 MAPT (0.40) MAPTTDP1ALDH1A1THRBLMNA
SCHEMBL8442749 1.00 MAPT (0.40) MAPTTDP1ALDH1A1THRBLMNA
SCHEMBL8443621 1.00 MAPT (0.40) MAPTTDP1ALDH1A1THRBLMNA
SCHEMBL8438882 0.92 ALDH1A1 (0.51) MAPTTDP1ALDH1A1THRBCYP2D6
SCHEMBL5722122 0.92 ALDH1A1 (0.51) MAPTTDP1ALDH1A1THRBCYP2D6
SCHEMBL5970520 0.92 ALDH1A1 (0.51) MAPTTDP1ALDH1A1THRBCYP2D6
SCHEMBL8439720 0.92 ALDH1A1 (0.51) MAPTTDP1ALDH1A1THRBCYP2D6
SCHEMBL187581 0.92 ALDH1A1 (0.51) MAPTTDP1ALDH1A1THRBCYP2D6
SCHEMBL1535496 0.89 ALDH1A1 (0.49) MAPTTDP1ALDH1A1THRBCYP3A4
SCHEMBL1535486 0.86 ALDH1A1 (0.42) MAPTTDP1ALDH1A1THRBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0363460-A1 EPOXY-AMINE COMPOSITIONS EMPLOYING UNSATURATED IMIDES. LOCTITE CORP (US) 1990-04-18 EP claimed
WO-1989008122-A1 EPOXY-AMINE COMPOSITIONS EMPLOYING UNSATURATED IMIDES LOCTITE CORPORATION (US) 1989-09-08 WO claimed
US-8048489-B2 Compositions comprising biscitraconimide, bisitaconimide, and/or citraconimido-itaconimide LANXESS DEUTSCHLAND GMBH (DE) 2011-11-01 US disclosed
EP-2018401-B1 COMPOSITIONS COMPRISING BISCITRACONIMIDE, BISITACONIMIDE, AND/OR CITRACONIMIDO-ITACONIMIDE FLEXSYS BV (NL) 2010-01-27 EP disclosed
US-20090186158-A1 COMPOSITIONS COMPRISING BISCITRACONIMIDE, BISITACONIMIDE, AND/OR CITRACONIMIDO-ITACONIMIDE LANXESS DEUTSCHLAND GMBH (DE) 2009-07-23 US disclosed
EP-2018401-A2 COMPOSITIONS COMPRISING BISCITRACONIMIDE, BISITACONIMIDE, AND/OR CITRACONIMIDO-ITACONIMIDE Flexsys B.V. (NL) 2009-01-28 EP disclosed
WO-2007134948-A2 COMPOSITIONS COMPRISING BISCITRACONIMIDE, BISITACONIMIDE, AND/OR CITRACONIMIDO-ITACONIMIDE FLEXSYS B.V. (NL) 2007-11-29 WO disclosed
EP-0495544-B1 Process for the synthesis of citraconimides AKZO NOBEL NV (NL) 1999-04-07 EP disclosed
EP-0273731-A1 Imide compound and composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-07-06 EP disclosed