SCHEMBL7523967

SCHEMBL7523967

CC(=O)NC(CC(C)OC(C)C)NC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TRPV1 Q8NER1 1/20 0.34
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
NFKB1 P19838 1/20 0.32
PTGS2 P35354 1/20 0.32
THPO P40225 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
TSHR P16473 1/20 0.31
PLA2G2C Q5R387 1/20 0.30

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
SCHEMBL7526378 0.82 ALDH1A1 (0.38) ALDH1A1TRPV1MTNR1AMTNR1BKDM4E
SCHEMBL7531232 0.81 ALDH1A1 (0.41) ALDH1A1TRPV1MTNR1AMTNR1BKDM4E
SCHEMBL7531553 0.78 ALDH1A1 (0.38) ALDH1A1TRPV1MTNR1AMTNR1BKDM4E
SCHEMBL3621965 0.70 TSHR (0.38) ALDH1A1TRPV1MTNR1AMTNR1BKDM4E
SCHEMBL12766261 0.69 MAPK1 (0.35) ALDH1A1TSHR
SCHEMBL18883358 0.69 MAPK1 (0.35) ALDH1A1TSHR
SCHEMBL7522560 0.68 ADH1B (0.39)
SCHEMBL5408799 0.66 PLA2G2C (0.39) ALDH1A1TRPV1MTNR1AMTNR1BKDM4E
SCHEMBL18427629 0.65
SCHEMBL23584250 0.64 PHF8 (0.37) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0812311-B1 HIGHLY POLYMERIZABLE N-VINYLCARBOXYLIC ACID AMIDE AND PRODUCTION PROCESS THEREOF SHOWA DENKO KK (JP) 2002-03-20 EP disclosed
US-6153708-A HAVING AN N-1,3-BUTADIENYLCARBOXYLIC ACID AMIDE CONTENT OF 30 PPM OR LESS. SHOWA DENKO KABUSHIKI KAISHA (JP) 2000-11-28 US disclosed
US-6143836-A PRODUCING HOMOPOLYMER OR COPOLYMER OF N-VINYLCARBOXYLIC ACID AMIDE BY POLYMERIZING HIGHLY POLYMERIZABLE N-VINYLCARBOXYLIC ACID AMIDE HAVING N-1,3-BUTADIENYLCARBOXYLIC ACID AMIDE CONTENT OF 30 PPM OR LESS; USE AS THICKENER SHOWA DENKO KABUSHIKI KAISHA (JP) 2000-11-07 US disclosed
US-6072084-A THERMAL CRACKING OR CATALYTIC CRACKING OF N-(1-ALKOXYETHYL) CARBOXYLIC ACID AMIDE OR ETHYLIDENEBISCARBOXYLIC ACID AMIDE SHOWA DENKO K.K. (JP) 2000-06-06 US disclosed
US-5892115-A PRETREATMENT BY THERMAL OR CATALYTIC CRACKING OF N-(1-ALKOXYETHYL)CARBOXYLIC AMIDE OR ETHYLIDENEBISCARBOXYLIC ACID AMIDE SHOWA DENKO KABUSHIKI KAISHA (JP) 1999-04-06 US disclosed
US-5789619-A USED AS COAGULANTS, LIQUID ABSORBENTS, THICKENERS SHOWA DENKO KABUSHIKI KAISHA (JP) 1998-08-04 US disclosed
EP-0812311-A1 HIGHLY POLYMERIZABLE N-VINYLCARBOXYLIC ACID AMIDE AND PRODUCTION PROCESS THEREOF SHOWA DENKO KABUSHIKI KAISHA (JP) 1997-12-17 EP disclosed
WO-1997024315-A1 HIGHLY POLYMERIZABLE N-VINYLCARBOXYLIC ACID AMIDE AND PRODUCTION PROCESS THEREOF SHOWA DENKO K.K. (JP) 1997-07-10 WO disclosed