SCHEMBL77141

SCHEMBL77141

CC(=O)NC(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 4/20 0.50
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 2/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
HPGD P15428 1/20 0.42
SRC P12931 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GLS O94925 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
SCHEMBL76895 0.90 LMNA (0.50) TDP1L3MBTL1LMNAALDH1A1CYP3A4
SCHEMBL76522 0.90 LMNA (0.50) TDP1L3MBTL1LMNAALDH1A1CYP3A4
SCHEMBL13052942 0.89 TDP1 (0.55) TDP1L3MBTL1LMNAALDH1A1CYP3A4
SCHEMBL6707539 0.89 ALDH1A1 (0.48) TDP1L3MBTL1LMNAALDH1A1CYP3A4
SCHEMBL28457962 0.85 TDP1 (0.55) TDP1L3MBTL1LMNAALDH1A1CYP3A4
SCHEMBL14595547 0.83 LMNA (0.56) TDP1L3MBTL1LMNAALDH1A1CYP3A4
SCHEMBL3376625 0.82 SRC (0.52) LMNAALDH1A1MTNR1AMTNR1BHPGD
SCHEMBL4250144 0.82 SRC (0.52) LMNAALDH1A1MTNR1AMTNR1BHPGD
SCHEMBL890060 0.82 TACR3 (0.48) ALDH1A1MTNR1AMTNR1BSRCCYP1A2
SCHEMBL627377 0.82 SRC (0.52) LMNAALDH1A1MTNR1AMTNR1BHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109096138-B Method for synthesizing alpha-aminoketone derivative 郑州轻工业学院 2020-12-18 CN disclosed
CN-109096138-A A method of synthesis α-amido ketone derivatives 郑州轻工业学院 2018-12-28 CN disclosed
US-8129355-B2 Nuclear receptor-based inducible gene expression system; modulating the expression of a gene in a host cell by introducing into the host cell a gene expression modulation system and activating that system using 5-ethyl-2,3-dihydro-benzo[1,4]dioxine-6-carboxylic acid (1-benzoyl-cyclopentyl)-amide INTREXON CORPORATION (US) 2012-03-06 US disclosed
US-8129355-B2 Nuclear receptor-based inducible gene expression system; modulating the expression of a gene in a host cell by introducing into the host cell a gene expression modulation system and activating that system using 5-ethyl-2,3-dihydro-benzo[1,4]dioxine-6-carboxylic acid (1-benzoyl-cyclopentyl)-amide INTREXON CORPORATION (US) 2012-03-06 US disclosed
US-5403852-A Antiinflammatory agents LABORATOIRE ROGER BELLON (FR) 1995-04-04 US disclosed
US-4194050-A HYDROGENATING OXIMES HAVING AN ALPHA-HYDROGEN USING A RUTHENIUM CATALYST AND A CARBOXYLIC ANHYDRIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-03-18 US disclosed
US-4137417-A Process for producing an enamide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-01-30 US disclosed